1-Cyclopentylbuta-2,3-dien-1-ol

C9H14O — CID 130128608

IUPAC—
SMILESC=C=CC(O)C1CCCC1
InChIInChI=1S/C9H14O/c1-2-5-9(10)8-6-3-4-7-8/h5,8-10H,1,3-4,6-7H2
InChIKeyIQWZNKLVKUJYHC-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.88
Rot. Bonds2

About 1-Cyclopentylbuta-2,3-dien-1-ol

1-Cyclopentylbuta-2,3-dien-1-ol (PubChem CID 130128608) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol.

Molecular Properties

Compound Name1-Cyclopentylbuta-2,3-dien-1-ol
PubChem CID130128608
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name—
SMILESC=C=CC(O)C1CCCC1
InChIInChI=1S/C9H14O/c1-2-5-9(10)8-6-3-4-7-8/h5,8-10H,1,3-4,6-7H2
InChIKeyIQWZNKLVKUJYHC-UHFFFAOYSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cyclohexylprop-2-en-1-ol
CID 11171021
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
dicyclopentyl(deuterio)methanol
CID 159152479
(1R,4R)-1,4-dicyclohexylbut-2-yne-1,4-diol
CID 12063945
1-cyclopentyl-3-methylidenepentan-1-ol
CID 66045289
1-cyclohexyl-3-methylidenebutane-1,4-diol
CID 10241499
(Z,1S,5S)-1,5-dicyclohexylpent-2-ene-1,5-diol
CID 46914637
1,2,2-tricyclohexylethylcyclohexane
CID 59850833
di(cyclohexadecyl)methylcyclohexadecane
CID 175406938
dicyclopropylmethylcyclopentane
CID 56984657
cyclooctyl(cyclopropyl)methanol
CID 80603317
1-cycloheptylhex-5-en-1-ol
CID 65399153

Frequently Asked Questions

What is the IUPAC name of 1-Cyclopentylbuta-2,3-dien-1-ol?
The IUPAC name of 1-Cyclopentylbuta-2,3-dien-1-ol (CID 130128608) is not available.
What is the SMILES notation for 1-Cyclopentylbuta-2,3-dien-1-ol?
The canonical SMILES for 1-Cyclopentylbuta-2,3-dien-1-ol is C=C=CC(O)C1CCCC1.
What is the InChIKey of 1-Cyclopentylbuta-2,3-dien-1-ol?
The InChIKey is IQWZNKLVKUJYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-5-9(10)8-6-3-4-7-8/h5,8-10H,1,3-4,6-7H2.
What are the key properties of 1-Cyclopentylbuta-2,3-dien-1-ol?
1-Cyclopentylbuta-2,3-dien-1-ol has a molecular weight of 138.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Cyclopentylbuta-2,3-dien-1-ol is sourced from PubChem (CID 130128608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).