1-cyclopentylethanol;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol

C17H32O2 — CID 18968481

IUPAC1-cyclopentylethanol;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol
SMILESCC(O)C1CCCC1.CC1=CCC(C(C)CO)CC1
InChIInChI=1S/C10H18O.C7H14O/c1-8-3-5-10(6-4-8)9(2)7-11;1-6(8)7-4-2-3-5-7/h3,9-11H,4-7H2,1-2H3;6-8H,2-5H2,1H3
InChIKeyXDEGOCQOQSRXFS-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.92
Rot. Bonds3

About 1-cyclopentylethanol;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol

1-cyclopentylethanol;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol (PubChem CID 18968481) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-cyclopentylethanol;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-cyclopentylethanol;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol
PubChem CID18968481
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name1-cyclopentylethanol;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol
SMILESCC(O)C1CCCC1.CC1=CCC(C(C)CO)CC1
InChIInChI=1S/C10H18O.C7H14O/c1-8-3-5-10(6-4-8)9(2)7-11;1-6(8)7-4-2-3-5-7/h3,9-11H,4-7H2,1-2H3;6-8H,2-5H2,1H3
InChIKeyXDEGOCQOQSRXFS-UHFFFAOYSA-N
XLogP3.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-4-methylcyclohex-3-en-1-yl]-1-tritiopropan-1-ol
CID 10931690
2-(4-methylcyclohex-3-en-1-yl)propane-1-thiol
CID 59610016
1,4-dimethylcyclohexane;ethane;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol;2-methylheptan-1-ol
CID 145154726
4-(4-chlorobutan-2-yl)-1-methylcyclohexene
CID 123381181
3-[(1S)-4-methylcyclohex-3-en-1-yl]butanal
CID 130643882
(2R)-2-cyclohexylpropan-1-ol
CID 10176192
(E)-6-(4-methylcyclohex-3-en-1-yl)hept-2-en-4-one
CID 90805896
4-butan-2-yl-1-methylcyclohexene;5-methylbenzene-4,6-diide-1,3-diol;bis(yttrium)
CID 156810022
2-(4-methylcyclohex-3-en-1-yl)propyl-triphenylgermane
CID 86023740
triethoxy-[(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]silane
CID 124629998
[(1S,2S)-2-[(2R)-2-(4-methylcyclohex-3-en-1-yl)propyl]cyclopentyl] acetate
CID 144805239
1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 75094485

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylethanol;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol?
The IUPAC name of 1-cyclopentylethanol;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol (CID 18968481) is 1-cyclopentylethanol;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol.
What is the SMILES notation for 1-cyclopentylethanol;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol?
The canonical SMILES for 1-cyclopentylethanol;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol is CC(O)C1CCCC1.CC1=CCC(C(C)CO)CC1.
What is the InChIKey of 1-cyclopentylethanol;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol?
The InChIKey is XDEGOCQOQSRXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.C7H14O/c1-8-3-5-10(6-4-8)9(2)7-11;1-6(8)7-4-2-3-5-7/h3,9-11H,4-7H2,1-2H3;6-8H,2-5H2,1H3.
What are the key properties of 1-cyclopentylethanol;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol?
1-cyclopentylethanol;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylethanol;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol is sourced from PubChem (CID 18968481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).