1-ethylidene-4-methylcyclohexane

C9H16 — CID 11073416

IUPAC1-ethylidene-4-methylcyclohexane
SMILESCC=C1CCC(C)CC1
InChIInChI=1S/C9H16/c1-3-9-6-4-8(2)5-7-9/h3,8H,4-7H2,1-2H3/b9-3-
InChIKeyWWSJJPAGYFPKKJ-OQFOIZHKSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds

About 1-ethylidene-4-methylcyclohexane

1-ethylidene-4-methylcyclohexane (PubChem CID 11073416) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-ethylidene-4-methylcyclohexane.

Molecular Properties

Compound Name1-ethylidene-4-methylcyclohexane
PubChem CID11073416
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1-ethylidene-4-methylcyclohexane
SMILESCC=C1CCC(C)CC1
InChIInChI=1S/C9H16/c1-3-9-6-4-8(2)5-7-9/h3,8H,4-7H2,1-2H3/b9-3-
InChIKeyWWSJJPAGYFPKKJ-OQFOIZHKSA-N
XLogP3.14
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 ≤ 53.14
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-ethylidene-4-methylcyclohexane?
The IUPAC name of 1-ethylidene-4-methylcyclohexane (CID 11073416) is 1-ethylidene-4-methylcyclohexane.
What is the SMILES notation for 1-ethylidene-4-methylcyclohexane?
The canonical SMILES for 1-ethylidene-4-methylcyclohexane is CC=C1CCC(C)CC1.
What is the InChIKey of 1-ethylidene-4-methylcyclohexane?
The InChIKey is WWSJJPAGYFPKKJ-OQFOIZHKSA-N. The full InChI is InChI=1S/C9H16/c1-3-9-6-4-8(2)5-7-9/h3,8H,4-7H2,1-2H3/b9-3-.
What are the key properties of 1-ethylidene-4-methylcyclohexane?
1-ethylidene-4-methylcyclohexane has a molecular weight of 124.23 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylidene-4-methylcyclohexane is sourced from PubChem (CID 11073416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).