3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol

C12H22O — CID 10655039

IUPAC3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol
SMILESCC1=CCCC(C)(C)C1CCCO
InChIInChI=1S/C12H22O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h6,11,13H,4-5,7-9H2,1-3H3
InChIKeyUNEMEOZKDQWLEX-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds3

About 3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol

3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol (PubChem CID 10655039) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol
PubChem CID10655039
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol
SMILESCC1=CCCC(C)(C)C1CCCO
InChIInChI=1S/C12H22O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h6,11,13H,4-5,7-9H2,1-3H3
InChIKeyUNEMEOZKDQWLEX-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.14
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

6-butyl-1,5,5-trimethylcyclohexene
CID 15402298
6-ethyl-1,5,5-trimethylcyclohexene
CID 143426424
ethane;(E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-2-en-1-ol
CID 176716265
[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]methanethiol
CID 3085622
(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,6-dien-1-ol
CID 23424854
2,3-dimethyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-2-enenitrile
CID 71323427
(E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol
CID 6366429
2-[(1R)-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-1-yl]ethanol
CID 142088873
4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enal
CID 57060435
(6S)-1,5,5,6-tetramethylcyclohexene
CID 11768696
2-methylbut-2-ene;2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butanal;2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butanoic acid
CID 159708729
(6R)-5,5-dimethyl-6-(4-oxobutyl)cyclohexene-1-carbaldehyde
CID 53473168

Frequently Asked Questions

What is the IUPAC name of 3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol?
The IUPAC name of 3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol (CID 10655039) is 3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol.
What is the SMILES notation for 3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol?
The canonical SMILES for 3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol is CC1=CCCC(C)(C)C1CCCO.
What is the InChIKey of 3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol?
The InChIKey is UNEMEOZKDQWLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h6,11,13H,4-5,7-9H2,1-3H3.
What are the key properties of 3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol?
3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol is sourced from PubChem (CID 10655039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).