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

C20H36O2 — CID 23186359

IUPAC2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
SMILESCC1=CCC(C(C)(C)O)CC1.CC1=CCC(C(C)(C)O)CC1
InChIInChI=1S/2C10H18O/c2*1-8-4-6-9(7-5-8)10(2,3)11/h2*4,9,11H,5-7H2,1-3H3
InChIKeyZHAOOCZIBVCVKN-UHFFFAOYSA-N
MW308.51 g/mol
LogP5.01
Rot. Bonds2

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

2-(4-methylcyclohex-3-en-1-yl)propan-2-ol (PubChem CID 23186359) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
PubChem CID23186359
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
SMILESCC1=CCC(C(C)(C)O)CC1.CC1=CCC(C(C)(C)O)CC1
InChIInChI=1S/2C10H18O/c2*1-8-4-6-9(7-5-8)10(2,3)11/h2*4,9,11H,5-7H2,1-3H3
InChIKeyZHAOOCZIBVCVKN-UHFFFAOYSA-N
XLogP5.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol?
The IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol (CID 23186359) is 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol.
What is the SMILES notation for 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol?
The canonical SMILES for 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol is CC1=CCC(C(C)(C)O)CC1.CC1=CCC(C(C)(C)O)CC1.
What is the InChIKey of 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol?
The InChIKey is ZHAOOCZIBVCVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18O/c2*1-8-4-6-9(7-5-8)10(2,3)11/h2*4,9,11H,5-7H2,1-3H3.
What are the key properties of 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol?
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol has a molecular weight of 308.51 g/mol, XLogP of 5.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol is sourced from PubChem (CID 23186359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).