1-pentylcyclohexa-2,4-dien-1-ol

C11H18O — CID 70154129

IUPAC1-pentylcyclohexa-2,4-dien-1-ol
SMILESCCCCCC1(O)C=CC=CC1
InChIInChI=1S/C11H18O/c1-2-3-5-8-11(12)9-6-4-7-10-11/h4,6-7,9,12H,2-3,5,8,10H2,1H3
InChIKeyACDRPWLYYCXAPK-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.81
Rot. Bonds4

About 1-pentylcyclohexa-2,4-dien-1-ol

1-pentylcyclohexa-2,4-dien-1-ol (PubChem CID 70154129) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-pentylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-pentylcyclohexa-2,4-dien-1-ol
PubChem CID70154129
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-pentylcyclohexa-2,4-dien-1-ol
SMILESCCCCCC1(O)C=CC=CC1
InChIInChI=1S/C11H18O/c1-2-3-5-8-11(12)9-6-4-7-10-11/h4,6-7,9,12H,2-3,5,8,10H2,1H3
InChIKeyACDRPWLYYCXAPK-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 11105550
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4R)-rel-
CID 122485
trans-1-Methyl-4-(1-methylvinyl)cyclohex-2-en-1-ol
CID 155626
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-
CID 12618691
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)-rel-
CID 122484
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1R,4R)-rel-
CID 111274
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, cis-
CID 526657
cis-p-Menth-2-en-1-ol
CID 5319367
1-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-
CID 86752
Zingiberenol
CID 13213649
p-Mentha-2,8-dien-1-ol, (Z)-
CID 5319363
1-((1E)-hex-1-en-1-yl)cyclohexan-1-ol
CID 5352482

Frequently Asked Questions

What is the IUPAC name of 1-pentylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-pentylcyclohexa-2,4-dien-1-ol (CID 70154129) is 1-pentylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-pentylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-pentylcyclohexa-2,4-dien-1-ol is CCCCCC1(O)C=CC=CC1.
What is the InChIKey of 1-pentylcyclohexa-2,4-dien-1-ol?
The InChIKey is ACDRPWLYYCXAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-2-3-5-8-11(12)9-6-4-7-10-11/h4,6-7,9,12H,2-3,5,8,10H2,1H3.
What are the key properties of 1-pentylcyclohexa-2,4-dien-1-ol?
1-pentylcyclohexa-2,4-dien-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70154129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).