3-methyl-1-pentylcyclopent-3-en-1-ol

C11H20O — CID 139771614

IUPAC3-methyl-1-pentylcyclopent-3-en-1-ol
SMILESCCCCCC1(O)CC=C(C)C1
InChIInChI=1S/C11H20O/c1-3-4-5-7-11(12)8-6-10(2)9-11/h6,12H,3-5,7-9H2,1-2H3
InChIKeyIUEOFMDSFDHBQG-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.04
Rot. Bonds4

About 3-methyl-1-pentylcyclopent-3-en-1-ol

3-methyl-1-pentylcyclopent-3-en-1-ol (PubChem CID 139771614) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methyl-1-pentylcyclopent-3-en-1-ol.

Molecular Properties

Compound Name3-methyl-1-pentylcyclopent-3-en-1-ol
PubChem CID139771614
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-methyl-1-pentylcyclopent-3-en-1-ol
SMILESCCCCCC1(O)CC=C(C)C1
InChIInChI=1S/C11H20O/c1-3-4-5-7-11(12)8-6-10(2)9-11/h6,12H,3-5,7-9H2,1-2H3
InChIKeyIUEOFMDSFDHBQG-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-heptadecylcyclopropan-1-ol
CID 2802251
2-heptyl-3,4-dihydro-1H-naphthalen-2-ol
CID 65147056
1-octadecylcyclohexan-1-ol
CID 67204292
1-heptylcycloheptan-1-ol
CID 57057960
4-methylcyclohex-4-ene-1,2-dicarboxylic acid;4-methyl-1,2-dioctylcyclohex-4-ene-1,2-dicarboxylic acid
CID 161253424
4-pentyloxan-4-ol
CID 65145510
4-methyl-1-pentylcyclohexan-1-ol
CID 65147316
(4S)-4-hexadecyl-4-hydroxycyclopent-2-en-1-one
CID 101350451
3,3-dimethyl-1-pentylcyclohexan-1-ol
CID 65148962
8-octylspiro[4.5]decan-8-ol
CID 114819460
3-ethoxy-1-hexylcyclobutan-1-ol
CID 106823263
1-decyl-3,3-dimethylcyclohexan-1-ol
CID 65149393

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pentylcyclopent-3-en-1-ol?
The IUPAC name of 3-methyl-1-pentylcyclopent-3-en-1-ol (CID 139771614) is 3-methyl-1-pentylcyclopent-3-en-1-ol.
What is the SMILES notation for 3-methyl-1-pentylcyclopent-3-en-1-ol?
The canonical SMILES for 3-methyl-1-pentylcyclopent-3-en-1-ol is CCCCCC1(O)CC=C(C)C1.
What is the InChIKey of 3-methyl-1-pentylcyclopent-3-en-1-ol?
The InChIKey is IUEOFMDSFDHBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-5-7-11(12)8-6-10(2)9-11/h6,12H,3-5,7-9H2,1-2H3.
What are the key properties of 3-methyl-1-pentylcyclopent-3-en-1-ol?
3-methyl-1-pentylcyclopent-3-en-1-ol has a molecular weight of 168.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pentylcyclopent-3-en-1-ol is sourced from PubChem (CID 139771614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).