2-(4-tert-butylcyclohexen-1-yl)ethanol

C12H22O — CID 12815296

IUPAC2-(4-tert-butylcyclohexen-1-yl)ethanol
SMILESCC(C)(C)C1CC=C(CCO)CC1
InChIInChI=1S/C12H22O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4,11,13H,5-9H2,1-3H3
InChIKeyJIKXCRREPXWGSE-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds2

About 2-(4-tert-butylcyclohexen-1-yl)ethanol

2-(4-tert-butylcyclohexen-1-yl)ethanol (PubChem CID 12815296) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexen-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexen-1-yl)ethanol
PubChem CID12815296
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-(4-tert-butylcyclohexen-1-yl)ethanol
SMILESCC(C)(C)C1CC=C(CCO)CC1
InChIInChI=1S/C12H22O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4,11,13H,5-9H2,1-3H3
InChIKeyJIKXCRREPXWGSE-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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

Nopol
CID 31408
alpha-CAMPHOLENOL
CID 61284
p-MENTH-1-EN-9-OL
CID 86753
Camelliol C
CID 6476390
Sandalore
CID 103212
Isocyclogeraniol
CID 109458
(-)-Drimenol
CID 3080551
Nopol, (+-)-
CID 1272250
Methylcyclohexenyl butanol
CID 85903
3-Cyclohexene-1-methanol, 2,4-dimethyl-
CID 106743
3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl-
CID 166220
2,6,6-Trimethylcyclohex-2-ene-1-methanol
CID 97932

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexen-1-yl)ethanol?
The IUPAC name of 2-(4-tert-butylcyclohexen-1-yl)ethanol (CID 12815296) is 2-(4-tert-butylcyclohexen-1-yl)ethanol.
What is the SMILES notation for 2-(4-tert-butylcyclohexen-1-yl)ethanol?
The canonical SMILES for 2-(4-tert-butylcyclohexen-1-yl)ethanol is CC(C)(C)C1CC=C(CCO)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexen-1-yl)ethanol?
The InChIKey is JIKXCRREPXWGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4,11,13H,5-9H2,1-3H3.
What are the key properties of 2-(4-tert-butylcyclohexen-1-yl)ethanol?
2-(4-tert-butylcyclohexen-1-yl)ethanol has a molecular weight of 182.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexen-1-yl)ethanol is sourced from PubChem (CID 12815296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).