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

C10H14 — CID 91021845

IUPAC4-methylidene-3-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1C=CCCC1=C
InChIInChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h5,7,10H,1,3-4,6H2,2H3
InChIKeyXLLMDDPGDMRJTK-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.08
Rot. Bonds1

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

4-methylidene-3-prop-1-en-2-ylcyclohexene (PubChem CID 91021845) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 4-methylidene-3-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name4-methylidene-3-prop-1-en-2-ylcyclohexene
PubChem CID91021845
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name4-methylidene-3-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1C=CCCC1=C
InChIInChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h5,7,10H,1,3-4,6H2,2H3
InChIKeyXLLMDDPGDMRJTK-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 4-methylidene-3-prop-1-en-2-ylcyclohexene?
The IUPAC name of 4-methylidene-3-prop-1-en-2-ylcyclohexene (CID 91021845) is 4-methylidene-3-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for 4-methylidene-3-prop-1-en-2-ylcyclohexene?
The canonical SMILES for 4-methylidene-3-prop-1-en-2-ylcyclohexene is C=C(C)C1C=CCCC1=C.
What is the InChIKey of 4-methylidene-3-prop-1-en-2-ylcyclohexene?
The InChIKey is XLLMDDPGDMRJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h5,7,10H,1,3-4,6H2,2H3.
What are the key properties of 4-methylidene-3-prop-1-en-2-ylcyclohexene?
4-methylidene-3-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 4-methylidene-3-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 91021845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).