1-methyl-3-methylidenecyclohexane

C8H14 — CID 15577594

IUPAC1-methyl-3-methylidenecyclohexane
SMILESC=C1CCCC(C)C1
InChIInChI=1S/C8H14/c1-7-4-3-5-8(2)6-7/h8H,1,3-6H2,2H3
InChIKeyFJYDCXOHBVUXPO-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.75
Rot. Bonds

About 1-methyl-3-methylidenecyclohexane

1-methyl-3-methylidenecyclohexane (PubChem CID 15577594) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 1-methyl-3-methylidenecyclohexane.

Molecular Properties

Compound Name1-methyl-3-methylidenecyclohexane
PubChem CID15577594
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name1-methyl-3-methylidenecyclohexane
SMILESC=C1CCCC(C)C1
InChIInChI=1S/C8H14/c1-7-4-3-5-8(2)6-7/h8H,1,3-6H2,2H3
InChIKeyFJYDCXOHBVUXPO-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.75
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

Vinylcyclohexane
CID 12757
2,4-Dimethyl-1-heptene
CID 123385
Cyclohexane, 1-methylene-4-(1-methylethenyl)-
CID 68140
Cyclohexylallene
CID 21873
2,4-Dimethyl-1-hexene
CID 519301
1-Methyl-4-methylidenecyclohexane
CID 520363
1-Methyl-4-(1-methylethenyl)cyclohexane
CID 14299
Hexane, 3-methyl-4-methylene-
CID 103004
3-Ethyl-2-methyl-1-heptene
CID 140588
p-Menth-1(7)-ene
CID 517973
(Prop-1-en-2-yl)cyclohexane
CID 523966
2,3-Dimethylhex-1-ene
CID 86061

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylidenecyclohexane?
The IUPAC name of 1-methyl-3-methylidenecyclohexane (CID 15577594) is 1-methyl-3-methylidenecyclohexane.
What is the SMILES notation for 1-methyl-3-methylidenecyclohexane?
The canonical SMILES for 1-methyl-3-methylidenecyclohexane is C=C1CCCC(C)C1.
What is the InChIKey of 1-methyl-3-methylidenecyclohexane?
The InChIKey is FJYDCXOHBVUXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-7-4-3-5-8(2)6-7/h8H,1,3-6H2,2H3.
What are the key properties of 1-methyl-3-methylidenecyclohexane?
1-methyl-3-methylidenecyclohexane has a molecular weight of 110.20 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylidenecyclohexane is sourced from PubChem (CID 15577594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).