2-(3,3-dimethylcyclohexen-1-yl)-5-methylhexan-2-ol

C15H28O — CID 67463949

IUPAC2-(3,3-dimethylcyclohexen-1-yl)-5-methylhexan-2-ol
SMILESCC(C)CCC(C)(O)C1=CC(C)(C)CCC1
InChIInChI=1S/C15H28O/c1-12(2)8-10-15(5,16)13-7-6-9-14(3,4)11-13/h11-12,16H,6-10H2,1-5H3
InChIKeyNQLDUTOJYMBAQR-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.31
Rot. Bonds4

About 2-(3,3-dimethylcyclohexen-1-yl)-5-methylhexan-2-ol

2-(3,3-dimethylcyclohexen-1-yl)-5-methylhexan-2-ol (PubChem CID 67463949) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-(3,3-dimethylcyclohexen-1-yl)-5-methylhexan-2-ol.

Molecular Properties

Compound Name2-(3,3-dimethylcyclohexen-1-yl)-5-methylhexan-2-ol
PubChem CID67463949
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-(3,3-dimethylcyclohexen-1-yl)-5-methylhexan-2-ol
SMILESCC(C)CCC(C)(O)C1=CC(C)(C)CCC1
InChIInChI=1S/C15H28O/c1-12(2)8-10-15(5,16)13-7-6-9-14(3,4)11-13/h11-12,16H,6-10H2,1-5H3
InChIKeyNQLDUTOJYMBAQR-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.31
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

Levomenol
CID 442343
Bisabolol
CID 1549992
alpha,4-Dimethyl-alpha-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol
CID 10586
(1S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 11105550
alpha-Bisabolol, (+)-epi-
CID 1201551
alpha-Bisabolol, (-)-epi-
CID 1616126
Himachalol
CID 121536
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

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylcyclohexen-1-yl)-5-methylhexan-2-ol?
The IUPAC name of 2-(3,3-dimethylcyclohexen-1-yl)-5-methylhexan-2-ol (CID 67463949) is 2-(3,3-dimethylcyclohexen-1-yl)-5-methylhexan-2-ol.
What is the SMILES notation for 2-(3,3-dimethylcyclohexen-1-yl)-5-methylhexan-2-ol?
The canonical SMILES for 2-(3,3-dimethylcyclohexen-1-yl)-5-methylhexan-2-ol is CC(C)CCC(C)(O)C1=CC(C)(C)CCC1.
What is the InChIKey of 2-(3,3-dimethylcyclohexen-1-yl)-5-methylhexan-2-ol?
The InChIKey is NQLDUTOJYMBAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-12(2)8-10-15(5,16)13-7-6-9-14(3,4)11-13/h11-12,16H,6-10H2,1-5H3.
What are the key properties of 2-(3,3-dimethylcyclohexen-1-yl)-5-methylhexan-2-ol?
2-(3,3-dimethylcyclohexen-1-yl)-5-methylhexan-2-ol has a molecular weight of 224.39 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylcyclohexen-1-yl)-5-methylhexan-2-ol is sourced from PubChem (CID 67463949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).