2-(4-methylcyclohexa-1,4-dien-1-yl)propan-1-ol

C10H16O — CID 91752542

IUPAC2-(4-methylcyclohexa-1,4-dien-1-yl)propan-1-ol
SMILESCC1=CCC(C(C)CO)=CC1
InChIInChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,6,9,11H,4-5,7H2,1-2H3
InChIKeyCPMWAGNKOOEEKQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.28
Rot. Bonds2

About 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-1-ol

2-(4-methylcyclohexa-1,4-dien-1-yl)propan-1-ol (PubChem CID 91752542) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-methylcyclohexa-1,4-dien-1-yl)propan-1-ol
PubChem CID91752542
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-(4-methylcyclohexa-1,4-dien-1-yl)propan-1-ol
SMILESCC1=CCC(C(C)CO)=CC1
InChIInChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,6,9,11H,4-5,7H2,1-2H3
InChIKeyCPMWAGNKOOEEKQ-UHFFFAOYSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.28
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

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CID 8842
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CID 5464156
Lavandulol, (+-)-
CID 94060
6,10-Dodecadien-1-ol, 3,7,11-trimethyl-
CID 439223
2,6-Dimethyl-5-hepten-1-ol
CID 240230
Isocyclogeraniol
CID 109458
3-Cyclohexene-1-methanol, 2,4-dimethyl-
CID 106743
2,6,6-Trimethylcyclohex-2-ene-1-methanol
CID 97932
(5E)-2,6,10-Trimethyl-5,9-undecadien-1-ol
CID 6364638
2,6,10-Trimethylundeca-5,9-dienol
CID 91116

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-1-ol?
The IUPAC name of 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-1-ol (CID 91752542) is 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-1-ol.
What is the SMILES notation for 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-1-ol?
The canonical SMILES for 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-1-ol is CC1=CCC(C(C)CO)=CC1.
What is the InChIKey of 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-1-ol?
The InChIKey is CPMWAGNKOOEEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,6,9,11H,4-5,7H2,1-2H3.
What are the key properties of 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-1-ol?
2-(4-methylcyclohexa-1,4-dien-1-yl)propan-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-1-ol is sourced from PubChem (CID 91752542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).