Name: 1-(3-hydroxypropyl)cyclobutan-1-ol - ≥97% , CAS No.1584139-24-1
Brand: Aladdin Scientific
SKU: C629747
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Tertiary alcohols
Alternative Parents	Cyclic alcohols and derivatives Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Tertiary alcohol - Cyclobutanol - Hydrocarbon derivative - Primary alcohol - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	130.180 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	130.099 Da
Monoisotopic Mass	130.099 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	86.900
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

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Reviews

Canonical Smiles	C1CC(C1)(CCCO)O
IUPAC Name	1-(3-hydroxypropyl)cyclobutan-1-ol
InChIKey	BZMUDJNRASYKOH-UHFFFAOYSA-N
INCHI	1S/C7H14O2/c8-6-2-5-7(9)3-1-4-7/h8-9H,1-6H2
Isomeric SMILES	C1CC(C1)(CCCO)O
PubChem CID	57016706
Molecular Weight	130.19

1-(3-hydroxypropyl)cyclobutan-1-ol - ≥97% , CAS No.1584139-24-1

Specifications