2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol

C11H20O — CID 118643101

IUPAC2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol
SMILESCC1=CCCC(C(C)(C)O)C1C
InChIInChI=1S/C11H20O/c1-8-6-5-7-10(9(8)2)11(3,4)12/h6,9-10,12H,5,7H2,1-4H3
InChIKeyLPVAWWBNVAJDRV-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.75
Rot. Bonds1

About 2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol

2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol (PubChem CID 118643101) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol
PubChem CID118643101
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol
SMILESCC1=CCCC(C(C)(C)O)C1C
InChIInChI=1S/C11H20O/c1-8-6-5-7-10(9(8)2)11(3,4)12/h6,9-10,12H,5,7H2,1-4H3
InChIKeyLPVAWWBNVAJDRV-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol?
The IUPAC name of 2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol (CID 118643101) is 2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol is CC1=CCCC(C(C)(C)O)C1C.
What is the InChIKey of 2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol?
The InChIKey is LPVAWWBNVAJDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8-6-5-7-10(9(8)2)11(3,4)12/h6,9-10,12H,5,7H2,1-4H3.
What are the key properties of 2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol?
2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol has a molecular weight of 168.28 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol is sourced from PubChem (CID 118643101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).