2-(5,5-dimethylcyclohexen-1-yl)butan-2-ol

C12H22O — CID 67462536

IUPAC2-(5,5-dimethylcyclohexen-1-yl)butan-2-ol
SMILESCCC(C)(O)C1=CCCC(C)(C)C1
InChIInChI=1S/C12H22O/c1-5-12(4,13)10-7-6-8-11(2,3)9-10/h7,13H,5-6,8-9H2,1-4H3
InChIKeyAXSGVTCQBXUZIJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.28
Rot. Bonds2

About 2-(5,5-dimethylcyclohexen-1-yl)butan-2-ol

2-(5,5-dimethylcyclohexen-1-yl)butan-2-ol (PubChem CID 67462536) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(5,5-dimethylcyclohexen-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-(5,5-dimethylcyclohexen-1-yl)butan-2-ol
PubChem CID67462536
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-(5,5-dimethylcyclohexen-1-yl)butan-2-ol
SMILESCCC(C)(O)C1=CCCC(C)(C)C1
InChIInChI=1S/C12H22O/c1-5-12(4,13)10-7-6-8-11(2,3)9-10/h7,13H,5-6,8-9H2,1-4H3
InChIKeyAXSGVTCQBXUZIJ-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylcyclohexen-1-yl)butan-2-ol?
The IUPAC name of 2-(5,5-dimethylcyclohexen-1-yl)butan-2-ol (CID 67462536) is 2-(5,5-dimethylcyclohexen-1-yl)butan-2-ol.
What is the SMILES notation for 2-(5,5-dimethylcyclohexen-1-yl)butan-2-ol?
The canonical SMILES for 2-(5,5-dimethylcyclohexen-1-yl)butan-2-ol is CCC(C)(O)C1=CCCC(C)(C)C1.
What is the InChIKey of 2-(5,5-dimethylcyclohexen-1-yl)butan-2-ol?
The InChIKey is AXSGVTCQBXUZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-12(4,13)10-7-6-8-11(2,3)9-10/h7,13H,5-6,8-9H2,1-4H3.
What are the key properties of 2-(5,5-dimethylcyclohexen-1-yl)butan-2-ol?
2-(5,5-dimethylcyclohexen-1-yl)butan-2-ol has a molecular weight of 182.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylcyclohexen-1-yl)butan-2-ol is sourced from PubChem (CID 67462536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).