1-methyl-4-methylidenecyclohexane

C8H14 — CID 520363

IUPAC1-methyl-4-methylidenecyclohexane
SMILESC=C1CCC(C)CC1
InChIInChI=1S/C8H14/c1-7-3-5-8(2)6-4-7/h8H,1,3-6H2,2H3
InChIKeyDRTOPLRMDZJIGV-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.75
Rot. Bonds

About 1-methyl-4-methylidenecyclohexane

1-methyl-4-methylidenecyclohexane (PubChem CID 520363) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 1-methyl-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-methyl-4-methylidenecyclohexane
PubChem CID520363
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name1-methyl-4-methylidenecyclohexane
SMILESC=C1CCC(C)CC1
InChIInChI=1S/C8H14/c1-7-3-5-8(2)6-4-7/h8H,1,3-6H2,2H3
InChIKeyDRTOPLRMDZJIGV-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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylidenecyclohexane?
The IUPAC name of 1-methyl-4-methylidenecyclohexane (CID 520363) is 1-methyl-4-methylidenecyclohexane.
What is the SMILES notation for 1-methyl-4-methylidenecyclohexane?
The canonical SMILES for 1-methyl-4-methylidenecyclohexane is C=C1CCC(C)CC1.
What is the InChIKey of 1-methyl-4-methylidenecyclohexane?
The InChIKey is DRTOPLRMDZJIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-7-3-5-8(2)6-4-7/h8H,1,3-6H2,2H3.
What are the key properties of 1-methyl-4-methylidenecyclohexane?
1-methyl-4-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-4-methylidenecyclohexane is sourced from PubChem (CID 520363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).