4-(2,2-dimethylpropyl)-3-methylcyclohexene

C12H22 — CID 59984603

IUPAC4-(2,2-dimethylpropyl)-3-methylcyclohexene
SMILESCC1C=CCCC1CC(C)(C)C
InChIInChI=1S/C12H22/c1-10-7-5-6-8-11(10)9-12(2,3)4/h5,7,10-11H,6,8-9H2,1-4H3
InChIKeySQHWRDOAHDEKQX-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-3-methylcyclohexene

4-(2,2-dimethylpropyl)-3-methylcyclohexene (PubChem CID 59984603) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-3-methylcyclohexene.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-3-methylcyclohexene
PubChem CID59984603
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4-(2,2-dimethylpropyl)-3-methylcyclohexene
SMILESCC1C=CCCC1CC(C)(C)C
InChIInChI=1S/C12H22/c1-10-7-5-6-8-11(10)9-12(2,3)4/h5,7,10-11H,6,8-9H2,1-4H3
InChIKeySQHWRDOAHDEKQX-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine
CID 55289732
3-methyl-4-prop-2-enylcyclohexene
CID 174582569
3-(2,2-dimethylpropyl)cyclohexene
CID 19985552
(3R,4R)-3,4-dimethylcycloocta-1,5-diene
CID 129383569
2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol
CID 58331735
2-methylbutan-2-ol;3-methylcyclopentene
CID 145265973
(3S)-3-methylcyclopentene
CID 11018803
(1R,2R)-2-methylcyclohex-3-ene-1-carbonitrile
CID 13481035
butane;3-methylcyclopentene
CID 143221247
1-(2-methylcyclohex-3-en-1-yl)ethanone
CID 14493390
(3R,4S)-4-[(1S)-cyclopent-2-en-1-yl]-3-methylcyclopentene
CID 156740514
3-(2,2-dimethylpropyl)-2-methyloxetane
CID 118284226

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-3-methylcyclohexene?
The IUPAC name of 4-(2,2-dimethylpropyl)-3-methylcyclohexene (CID 59984603) is 4-(2,2-dimethylpropyl)-3-methylcyclohexene.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-3-methylcyclohexene?
The canonical SMILES for 4-(2,2-dimethylpropyl)-3-methylcyclohexene is CC1C=CCCC1CC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-3-methylcyclohexene?
The InChIKey is SQHWRDOAHDEKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-10-7-5-6-8-11(10)9-12(2,3)4/h5,7,10-11H,6,8-9H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-3-methylcyclohexene?
4-(2,2-dimethylpropyl)-3-methylcyclohexene has a molecular weight of 166.31 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-3-methylcyclohexene is sourced from PubChem (CID 59984603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).