2-(1,5,5-trimethylcyclohex-2-en-1-yl)ethanol

C11H20O — CID 130122231

IUPAC2-(1,5,5-trimethylcyclohex-2-en-1-yl)ethanol
SMILESCC1(C)CC=CC(C)(CCO)C1
InChIInChI=1S/C11H20O/c1-10(2)5-4-6-11(3,9-10)7-8-12/h4,6,12H,5,7-9H2,1-3H3
InChIKeyQGMFYMKUZXNCPU-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.75
Rot. Bonds2

About 2-(1,5,5-trimethylcyclohex-2-en-1-yl)ethanol

2-(1,5,5-trimethylcyclohex-2-en-1-yl)ethanol (PubChem CID 130122231) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(1,5,5-trimethylcyclohex-2-en-1-yl)ethanol.

Molecular Properties

Compound Name2-(1,5,5-trimethylcyclohex-2-en-1-yl)ethanol
PubChem CID130122231
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-(1,5,5-trimethylcyclohex-2-en-1-yl)ethanol
SMILESCC1(C)CC=CC(C)(CCO)C1
InChIInChI=1S/C11H20O/c1-10(2)5-4-6-11(3,9-10)7-8-12/h4,6,12H,5,7-9H2,1-3H3
InChIKeyQGMFYMKUZXNCPU-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

Dehydrodihydroionol
CID 62126
2,6,6-Trimethylcyclohex-2-ene-1-methanol
CID 97932
2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-
CID 166894
2-Cyclohexene-1-methanol, 4-(1-methylethyl)-
CID 564463
2-Cyclohexene-1-ethanol
CID 11116070
3-(Cyclohex-2-en-1-yl)propan-1-ol
CID 12396302
3-Cyclohexene-1-methanol, 1,2,4(or 1,3,5)-trimethyl-
CID 73556761
Cambridge id 5181623
CID 660718
alpha,beta,2,6,6-Pentamethylcyclohex-2-ene-1-propan-1-ol
CID 25076551
2-Cyclohexene-1-methanol, 4-(1-methylethenyl)-
CID 9812820
[(1S,5R)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-1-yl]methanol
CID 127040907
(2R)-4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-ol
CID 92279408

Frequently Asked Questions

What is the IUPAC name of 2-(1,5,5-trimethylcyclohex-2-en-1-yl)ethanol?
The IUPAC name of 2-(1,5,5-trimethylcyclohex-2-en-1-yl)ethanol (CID 130122231) is 2-(1,5,5-trimethylcyclohex-2-en-1-yl)ethanol.
What is the SMILES notation for 2-(1,5,5-trimethylcyclohex-2-en-1-yl)ethanol?
The canonical SMILES for 2-(1,5,5-trimethylcyclohex-2-en-1-yl)ethanol is CC1(C)CC=CC(C)(CCO)C1.
What is the InChIKey of 2-(1,5,5-trimethylcyclohex-2-en-1-yl)ethanol?
The InChIKey is QGMFYMKUZXNCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2)5-4-6-11(3,9-10)7-8-12/h4,6,12H,5,7-9H2,1-3H3.
What are the key properties of 2-(1,5,5-trimethylcyclohex-2-en-1-yl)ethanol?
2-(1,5,5-trimethylcyclohex-2-en-1-yl)ethanol has a molecular weight of 168.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5,5-trimethylcyclohex-2-en-1-yl)ethanol is sourced from PubChem (CID 130122231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).