3-methyl-3-methylcyclohexene

C8H13+ — CID 163592791

IUPAC3-methyl-3-methylcyclohexene
SMILES[CH2+]C1(C)C=CCCC1
InChIInChI=1S/C8H13/c1-8(2)6-4-3-5-7-8/h4,6H,1,3,5,7H2,2H3/q+1
InChIKeyGQWWOTVIKJTFCX-UHFFFAOYSA-N
MW109.19 g/mol
LogP2.57
Rot. Bonds

About 3-methyl-3-methylcyclohexene

3-methyl-3-methylcyclohexene (PubChem CID 163592791) has the molecular formula C8H13+ and a molecular weight of 109.19 g/mol. Its IUPAC name is 3-methyl-3-methylcyclohexene.

Molecular Properties

Compound Name3-methyl-3-methylcyclohexene
PubChem CID163592791
Molecular FormulaC8H13+
Molecular Weight109.19 g/mol
Exact Mass109.10
IUPAC Name3-methyl-3-methylcyclohexene
SMILES[CH2+]C1(C)C=CCCC1
InChIInChI=1S/C8H13/c1-8(2)6-4-3-5-7-8/h4,6H,1,3,5,7H2,2H3/q+1
InChIKeyGQWWOTVIKJTFCX-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.19
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-methyl-3-methylcyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dimethylspiro[4.5]dec-9-ene
CID 102083414
(3R)-3-methoxy-3-methylcyclohexene
CID 163620954
(1Z)-6,6,9,9-tetramethylcyclododecene
CID 5462910
1-(3-methylbutan-2-yl)cyclohex-2-en-1-ol
CID 126999290
1-pentan-2-ylcyclohex-2-en-1-ol
CID 107892794
3-fluoro-3-methylcyclooctene
CID 154031859
(3S)-1-oxaspiro[2.5]oct-4-ene
CID 102418983
1-[(E)-2-trimethylsilylethenyl]cyclohex-2-en-1-ol
CID 162411359
3-methyl-3-propa-1,2-dienoxycyclohexene
CID 14961645
1,3-difluoro-5-[(1R)-1-methylcyclohex-2-en-1-yl]benzene
CID 169282398
2-hydroxy-2-[(1R)-1-methylcyclohex-2-en-1-yl]acetic acid
CID 131026802
1,2,4,5-tetrafluoro-3-[(1R)-1-methylcyclohex-2-en-1-yl]benzene
CID 169282440

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-methylcyclohexene?
The IUPAC name of 3-methyl-3-methylcyclohexene (CID 163592791) is 3-methyl-3-methylcyclohexene.
What is the SMILES notation for 3-methyl-3-methylcyclohexene?
The canonical SMILES for 3-methyl-3-methylcyclohexene is [CH2+]C1(C)C=CCCC1.
What is the InChIKey of 3-methyl-3-methylcyclohexene?
The InChIKey is GQWWOTVIKJTFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13/c1-8(2)6-4-3-5-7-8/h4,6H,1,3,5,7H2,2H3/q+1.
What are the key properties of 3-methyl-3-methylcyclohexene?
3-methyl-3-methylcyclohexene has a molecular weight of 109.19 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-methylcyclohexene is sourced from PubChem (CID 163592791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).