2-methyl-1,4-dimethylidenecyclohexane

C9H14 — CID 123618571

IUPAC2-methyl-1,4-dimethylidenecyclohexane
SMILESC=C1CCC(=C)C(C)C1
InChIInChI=1S/C9H14/c1-7-4-5-8(2)9(3)6-7/h9H,1-2,4-6H2,3H3
InChIKeyHFQGEKAHDGLJHJ-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds

About 2-methyl-1,4-dimethylidenecyclohexane

2-methyl-1,4-dimethylidenecyclohexane (PubChem CID 123618571) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2-methyl-1,4-dimethylidenecyclohexane.

Molecular Properties

Compound Name2-methyl-1,4-dimethylidenecyclohexane
PubChem CID123618571
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2-methyl-1,4-dimethylidenecyclohexane
SMILESC=C1CCC(=C)C(C)C1
InChIInChI=1S/C9H14/c1-7-4-5-8(2)9(3)6-7/h9H,1-2,4-6H2,3H3
InChIKeyHFQGEKAHDGLJHJ-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
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

1-methyl-2-methylidenecyclobutane
CID 20800914
(1R)-1-methyl-3-methylidenecyclopentane
CID 58904772
8-methyl-7,10-dimethylidene-5,6,8,9-tetrahydrobenzo[8]annulene
CID 91346586
2-methyl-4-methylidenepiperidine
CID 75088783
ethyl (1R)-2,5-dimethylidenecyclohexane-1-carboxylate
CID 147514526
3-methyl-4-methylidenecyclohexan-1-ol
CID 91313026
1-(2-methyl-4-methylidenepiperidin-1-yl)ethanone
CID 134165353
(9S)-9-methyl-7-methylidene-2-piperidin-1-yl-5,6,8,9-tetrahydrocyclohepta[b]pyridine
CID 143723483
1,4-dimethyl-2-methylidenecyclopentane;ethane
CID 144973768
2-methyl-3-methylidenecyclopentan-1-one
CID 58905861
1,2-dimethyl-4-methylideneazepane
CID 166484430
1-(3-methylidenecyclopentyl)ethanone
CID 556899

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-dimethylidenecyclohexane?
The IUPAC name of 2-methyl-1,4-dimethylidenecyclohexane (CID 123618571) is 2-methyl-1,4-dimethylidenecyclohexane.
What is the SMILES notation for 2-methyl-1,4-dimethylidenecyclohexane?
The canonical SMILES for 2-methyl-1,4-dimethylidenecyclohexane is C=C1CCC(=C)C(C)C1.
What is the InChIKey of 2-methyl-1,4-dimethylidenecyclohexane?
The InChIKey is HFQGEKAHDGLJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-7-4-5-8(2)9(3)6-7/h9H,1-2,4-6H2,3H3.
What are the key properties of 2-methyl-1,4-dimethylidenecyclohexane?
2-methyl-1,4-dimethylidenecyclohexane has a molecular weight of 122.21 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-dimethylidenecyclohexane is sourced from PubChem (CID 123618571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).