1-(2,6,6-trimethylcyclohexen-1-yl)ethanol

C11H20O — CID 539545

IUPAC1-(2,6,6-trimethylcyclohexen-1-yl)ethanol
SMILESCC1=C(C(C)O)C(C)(C)CCC1
InChIInChI=1S/C11H20O/c1-8-6-5-7-11(3,4)10(8)9(2)12/h9,12H,5-7H2,1-4H3
InChIKeyKWKYERSZCHHKHD-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds1

About 1-(2,6,6-trimethylcyclohexen-1-yl)ethanol

1-(2,6,6-trimethylcyclohexen-1-yl)ethanol (PubChem CID 539545) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(2,6,6-trimethylcyclohexen-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,6,6-trimethylcyclohexen-1-yl)ethanol
PubChem CID539545
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-(2,6,6-trimethylcyclohexen-1-yl)ethanol
SMILESCC1=C(C(C)O)C(C)(C)CCC1
InChIInChI=1S/C11H20O/c1-8-6-5-7-11(3,4)10(8)9(2)12/h9,12H,5-7H2,1-4H3
InChIKeyKWKYERSZCHHKHD-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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

(1R,2R)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ol
CID 51032002
(2,3,4,5,6-pentafluorophenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanol
CID 88961957
(Z,2S)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
CID 76968694
(2,4,5-trimethoxy-3-propan-2-ylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanol
CID 102297278
(3R,4S)-4-hydroxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methyl]pentan-2-one
CID 14809640
[(E)-5-iodosulfanyl-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-3-enyl] thiohypoiodite
CID 142159901
5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one
CID 71336953
trimethyl-(2,6,6-trimethylcyclohexen-1-yl)silane
CID 125488948
2,6,6-tri((113C)methyl)(1,2,3,4,5,6-13C6)cyclohexene-1-carbaldehyde
CID 11228964
(2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride
CID 155858654
4,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalene
CID 71441384
3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol
CID 590095

Frequently Asked Questions

What is the IUPAC name of 1-(2,6,6-trimethylcyclohexen-1-yl)ethanol?
The IUPAC name of 1-(2,6,6-trimethylcyclohexen-1-yl)ethanol (CID 539545) is 1-(2,6,6-trimethylcyclohexen-1-yl)ethanol.
What is the SMILES notation for 1-(2,6,6-trimethylcyclohexen-1-yl)ethanol?
The canonical SMILES for 1-(2,6,6-trimethylcyclohexen-1-yl)ethanol is CC1=C(C(C)O)C(C)(C)CCC1.
What is the InChIKey of 1-(2,6,6-trimethylcyclohexen-1-yl)ethanol?
The InChIKey is KWKYERSZCHHKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8-6-5-7-11(3,4)10(8)9(2)12/h9,12H,5-7H2,1-4H3.
What are the key properties of 1-(2,6,6-trimethylcyclohexen-1-yl)ethanol?
1-(2,6,6-trimethylcyclohexen-1-yl)ethanol has a molecular weight of 168.28 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6,6-trimethylcyclohexen-1-yl)ethanol is sourced from PubChem (CID 539545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).