1-cyclobutylpentane-1,2-diol

C9H18O2 — CID 103454869

IUPAC1-cyclobutylpentane-1,2-diol
SMILESCCCC(O)C(O)C1CCC1
InChIInChI=1S/C9H18O2/c1-2-4-8(10)9(11)7-5-3-6-7/h7-11H,2-6H2,1H3
InChIKeyWJOVSZZYOKIJEK-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.31
Rot. Bonds4

About 1-cyclobutylpentane-1,2-diol

1-cyclobutylpentane-1,2-diol (PubChem CID 103454869) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-cyclobutylpentane-1,2-diol.

Molecular Properties

Compound Name1-cyclobutylpentane-1,2-diol
PubChem CID103454869
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1-cyclobutylpentane-1,2-diol
SMILESCCCC(O)C(O)C1CCC1
InChIInChI=1S/C9H18O2/c1-2-4-8(10)9(11)7-5-3-6-7/h7-11H,2-6H2,1H3
InChIKeyWJOVSZZYOKIJEK-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylsulfonylcyclohexyl)pentane-1,2-diol
CID 103455003
1-cyclohexyldodecane-1,2-diol
CID 103459050
1-(4-propan-2-ylcycloheptyl)butan-1-ol
CID 83050929
1-cyclobutyl-3-methylhexan-1-ol
CID 64986952
1-cyclobutyl-3-methylhexan-2-ol
CID 115802415
(1R)-1-cyclobutylbutan-1-amine
CID 55293085
1-cyclopropylheptane-3,4-diol
CID 103455036
octane-4,5-diol;hydrate
CID 141056272
1-(1-cyclopentylethylamino)pentan-2-ol
CID 115719405
(3S)-N-cyclopropyl-2,3-dihydroxyhexanamide
CID 123542351
1-(3-methylcyclohexyl)butane-1,2-diol
CID 103454489
azane;1-cyclobutylbutan-1-amine;dihydrate
CID 140660348

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylpentane-1,2-diol?
The IUPAC name of 1-cyclobutylpentane-1,2-diol (CID 103454869) is 1-cyclobutylpentane-1,2-diol.
What is the SMILES notation for 1-cyclobutylpentane-1,2-diol?
The canonical SMILES for 1-cyclobutylpentane-1,2-diol is CCCC(O)C(O)C1CCC1.
What is the InChIKey of 1-cyclobutylpentane-1,2-diol?
The InChIKey is WJOVSZZYOKIJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-4-8(10)9(11)7-5-3-6-7/h7-11H,2-6H2,1H3.
What are the key properties of 1-cyclobutylpentane-1,2-diol?
1-cyclobutylpentane-1,2-diol has a molecular weight of 158.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpentane-1,2-diol is sourced from PubChem (CID 103454869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).