1-methylidene-4-propan-2-ylidenecyclohexane

C10H16 — CID 522319

IUPAC1-methylidene-4-propan-2-ylidenecyclohexane
SMILESC=C1CCC(=C(C)C)CC1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h3-7H2,1-2H3
InChIKeyJAFDMBBDFYFVAB-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.45
Rot. Bonds

About 1-methylidene-4-propan-2-ylidenecyclohexane

1-methylidene-4-propan-2-ylidenecyclohexane (PubChem CID 522319) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1-methylidene-4-propan-2-ylidenecyclohexane.

Molecular Properties

Compound Name1-methylidene-4-propan-2-ylidenecyclohexane
PubChem CID522319
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1-methylidene-4-propan-2-ylidenecyclohexane
SMILESC=C1CCC(=C(C)C)CC1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h3-7H2,1-2H3
InChIKeyJAFDMBBDFYFVAB-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.45
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-methylidene-4-propan-2-ylidenecyclohexane?
The IUPAC name of 1-methylidene-4-propan-2-ylidenecyclohexane (CID 522319) is 1-methylidene-4-propan-2-ylidenecyclohexane.
What is the SMILES notation for 1-methylidene-4-propan-2-ylidenecyclohexane?
The canonical SMILES for 1-methylidene-4-propan-2-ylidenecyclohexane is C=C1CCC(=C(C)C)CC1.
What is the InChIKey of 1-methylidene-4-propan-2-ylidenecyclohexane?
The InChIKey is JAFDMBBDFYFVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h3-7H2,1-2H3.
What are the key properties of 1-methylidene-4-propan-2-ylidenecyclohexane?
1-methylidene-4-propan-2-ylidenecyclohexane has a molecular weight of 136.24 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-4-propan-2-ylidenecyclohexane is sourced from PubChem (CID 522319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).