3-[(1R,2R)-2-methylcyclopentyl]but-3-en-1-ol

C10H18O — CID 15475081

IUPAC3-[(1R,2R)-2-methylcyclopentyl]but-3-en-1-ol
SMILESC=C(CCO)[C@@H]1CCC[C@H]1C
InChIInChI=1S/C10H18O/c1-8-4-3-5-10(8)9(2)6-7-11/h8,10-11H,2-7H2,1H3/t8-,10-/m1/s1
InChIKeyGHGGMBLIIDRNRV-PSASIEDQSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds3

About 3-[(1R,2R)-2-methylcyclopentyl]but-3-en-1-ol

3-[(1R,2R)-2-methylcyclopentyl]but-3-en-1-ol (PubChem CID 15475081) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-[(1R,2R)-2-methylcyclopentyl]but-3-en-1-ol.

Molecular Properties

Compound Name3-[(1R,2R)-2-methylcyclopentyl]but-3-en-1-ol
PubChem CID15475081
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-[(1R,2R)-2-methylcyclopentyl]but-3-en-1-ol
SMILESC=C(CCO)[C@@H]1CCC[C@H]1C
InChIInChI=1S/C10H18O/c1-8-4-3-5-10(8)9(2)6-7-11/h8,10-11H,2-7H2,1H3/t8-,10-/m1/s1
InChIKeyGHGGMBLIIDRNRV-PSASIEDQSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane
CID 123703907
trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane
CID 163550244
1-(2-methylcyclopentyl)propan-1-one
CID 12930148
1-(2-methylcyclopentyl)hexan-1-one
CID 107186773
cis-(1R,2S)-2-methylcyclopentane-1-carboxamide
CID 55289072
1-(2-methylcyclopentyl)heptan-1-one
CID 107186756
1-(2-methylcyclopentyl)decan-1-one
CID 107186745
(1S)-2-methylcyclohexane-1-carboxylic acid
CID 89206969
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
methyl 2-methylcyclopentane-1-carboxylate
CID 13435361
2-methylcyclohexane-1-carboxylic acid;dihydrochloride
CID 90238967
2-methylcyclooctane-1-carboxylic acid
CID 21039885

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-methylcyclopentyl]but-3-en-1-ol?
The IUPAC name of 3-[(1R,2R)-2-methylcyclopentyl]but-3-en-1-ol (CID 15475081) is 3-[(1R,2R)-2-methylcyclopentyl]but-3-en-1-ol.
What is the SMILES notation for 3-[(1R,2R)-2-methylcyclopentyl]but-3-en-1-ol?
The canonical SMILES for 3-[(1R,2R)-2-methylcyclopentyl]but-3-en-1-ol is C=C(CCO)[C@@H]1CCC[C@H]1C.
What is the InChIKey of 3-[(1R,2R)-2-methylcyclopentyl]but-3-en-1-ol?
The InChIKey is GHGGMBLIIDRNRV-PSASIEDQSA-N. The full InChI is InChI=1S/C10H18O/c1-8-4-3-5-10(8)9(2)6-7-11/h8,10-11H,2-7H2,1H3/t8-,10-/m1/s1.
What are the key properties of 3-[(1R,2R)-2-methylcyclopentyl]but-3-en-1-ol?
3-[(1R,2R)-2-methylcyclopentyl]but-3-en-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-methylcyclopentyl]but-3-en-1-ol is sourced from PubChem (CID 15475081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).