3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene

C11H16 — CID 143522614

IUPAC3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene
SMILESC=CC(C=C)=CC(=C)C(C)C
InChIInChI=1S/C11H16/c1-6-11(7-2)8-10(5)9(3)4/h6-9H,1-2,5H2,3-4H3
InChIKeyQIVXBWAWGCOQRL-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.50
Rot. Bonds4

About 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene

3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene (PubChem CID 143522614) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Name3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene
PubChem CID143522614
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene
SMILESC=CC(C=C)=CC(=C)C(C)C
InChIInChI=1S/C11H16/c1-6-11(7-2)8-10(5)9(3)4/h6-9H,1-2,5H2,3-4H3
InChIKeyQIVXBWAWGCOQRL-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene?
The IUPAC name of 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene (CID 143522614) is 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene.
What is the SMILES notation for 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene?
The canonical SMILES for 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene is C=CC(C=C)=CC(=C)C(C)C.
What is the InChIKey of 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene?
The InChIKey is QIVXBWAWGCOQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-6-11(7-2)8-10(5)9(3)4/h6-9H,1-2,5H2,3-4H3.
What are the key properties of 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene?
3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene has a molecular weight of 148.25 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 143522614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).