1,2-dimethyl-3-methylidenecyclohexane

C9H16 — CID 54109337

IUPAC1,2-dimethyl-3-methylidenecyclohexane
SMILESC=C1CCCC(C)C1C
InChIInChI=1S/C9H16/c1-7-5-4-6-8(2)9(7)3/h8-9H,1,4-6H2,2-3H3
InChIKeyPGVAAZBALQVJJW-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds

About 1,2-dimethyl-3-methylidenecyclohexane

1,2-dimethyl-3-methylidenecyclohexane (PubChem CID 54109337) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1,2-dimethyl-3-methylidenecyclohexane.

Molecular Properties

Compound Name1,2-dimethyl-3-methylidenecyclohexane
PubChem CID54109337
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1,2-dimethyl-3-methylidenecyclohexane
SMILESC=C1CCCC(C)C1C
InChIInChI=1S/C9H16/c1-7-5-4-6-8(2)9(7)3/h8-9H,1,4-6H2,2-3H3
InChIKeyPGVAAZBALQVJJW-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-methylidenecyclohexane?
The IUPAC name of 1,2-dimethyl-3-methylidenecyclohexane (CID 54109337) is 1,2-dimethyl-3-methylidenecyclohexane.
What is the SMILES notation for 1,2-dimethyl-3-methylidenecyclohexane?
The canonical SMILES for 1,2-dimethyl-3-methylidenecyclohexane is C=C1CCCC(C)C1C.
What is the InChIKey of 1,2-dimethyl-3-methylidenecyclohexane?
The InChIKey is PGVAAZBALQVJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-7-5-4-6-8(2)9(7)3/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 1,2-dimethyl-3-methylidenecyclohexane?
1,2-dimethyl-3-methylidenecyclohexane has a molecular weight of 124.23 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-methylidenecyclohexane is sourced from PubChem (CID 54109337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).