3-methylidene-4-prop-1-en-2-ylcyclohexene

C10H14 — CID 71403442

IUPAC3-methylidene-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CCC=CC1=C
InChIInChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4,6,10H,1,3,5,7H2,2H3
InChIKeyHZHNTXKWFDHZIG-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.08
Rot. Bonds1

About 3-methylidene-4-prop-1-en-2-ylcyclohexene

3-methylidene-4-prop-1-en-2-ylcyclohexene (PubChem CID 71403442) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 3-methylidene-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name3-methylidene-4-prop-1-en-2-ylcyclohexene
PubChem CID71403442
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name3-methylidene-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CCC=CC1=C
InChIInChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4,6,10H,1,3,5,7H2,2H3
InChIKeyHZHNTXKWFDHZIG-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.08
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 3-methylidene-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of 3-methylidene-4-prop-1-en-2-ylcyclohexene (CID 71403442) is 3-methylidene-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for 3-methylidene-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for 3-methylidene-4-prop-1-en-2-ylcyclohexene is C=C(C)C1CCC=CC1=C.
What is the InChIKey of 3-methylidene-4-prop-1-en-2-ylcyclohexene?
The InChIKey is HZHNTXKWFDHZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4,6,10H,1,3,5,7H2,2H3.
What are the key properties of 3-methylidene-4-prop-1-en-2-ylcyclohexene?
3-methylidene-4-prop-1-en-2-ylcyclohexene has a molecular weight of 134.22 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 71403442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).