1-(3,4-dimethylcyclohex-3-en-1-yl)-2-methylpropan-1-ol

C12H22O — CID 130128150

IUPAC1-(3,4-dimethylcyclohex-3-en-1-yl)-2-methylpropan-1-ol
SMILESCC1=C(C)CC(C(O)C(C)C)CC1
InChIInChI=1S/C12H22O/c1-8(2)12(13)11-6-5-9(3)10(4)7-11/h8,11-13H,5-7H2,1-4H3
InChIKeyOKMJXWQDCSXVEA-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds2

About 1-(3,4-dimethylcyclohex-3-en-1-yl)-2-methylpropan-1-ol

1-(3,4-dimethylcyclohex-3-en-1-yl)-2-methylpropan-1-ol (PubChem CID 130128150) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohex-3-en-1-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohex-3-en-1-yl)-2-methylpropan-1-ol
PubChem CID130128150
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-(3,4-dimethylcyclohex-3-en-1-yl)-2-methylpropan-1-ol
SMILESCC1=C(C)CC(C(O)C(C)C)CC1
InChIInChI=1S/C12H22O/c1-8(2)12(13)11-6-5-9(3)10(4)7-11/h8,11-13H,5-7H2,1-4H3
InChIKeyOKMJXWQDCSXVEA-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

Dihydro-beta-ionol
CID 579336
Isocyclogeraniol
CID 109458
Methylcyclohexenyl butanol
CID 85903
3-Cyclohexene-1-methanol, 2,4-dimethyl-
CID 106743
(3,5-Dimethylcyclohex-3-en-1-yl)methanol
CID 106742
6-Ethyl-3-methyloct-6-en-1-ol
CID 117306
4,8-Dimethyl-7-nonen-2-ol
CID 162418
5,9-Dimethyl-8-decen-3-ol
CID 89186
p-Menth-3-en-9-ol
CID 579276
1-Cyclohexene-1-ethanol, 2,6,6-trimethyl-
CID 592706
1-Cyclohexene-1-butanol, gamma-methyl-
CID 66584171
alpha-Ethyl-2,4-dimethyl-3-cyclohexene-1-methanol
CID 118112370

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohex-3-en-1-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(3,4-dimethylcyclohex-3-en-1-yl)-2-methylpropan-1-ol (CID 130128150) is 1-(3,4-dimethylcyclohex-3-en-1-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(3,4-dimethylcyclohex-3-en-1-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(3,4-dimethylcyclohex-3-en-1-yl)-2-methylpropan-1-ol is CC1=C(C)CC(C(O)C(C)C)CC1.
What is the InChIKey of 1-(3,4-dimethylcyclohex-3-en-1-yl)-2-methylpropan-1-ol?
The InChIKey is OKMJXWQDCSXVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-8(2)12(13)11-6-5-9(3)10(4)7-11/h8,11-13H,5-7H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohex-3-en-1-yl)-2-methylpropan-1-ol?
1-(3,4-dimethylcyclohex-3-en-1-yl)-2-methylpropan-1-ol 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 1-(3,4-dimethylcyclohex-3-en-1-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 130128150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).