8-methyl-4-methylidenenon-7-enal

C11H18O — CID 59294718

IUPAC8-methyl-4-methylidenenon-7-enal
SMILESC=C(CCC=O)CCC=C(C)C
InChIInChI=1S/C11H18O/c1-10(2)6-4-7-11(3)8-5-9-12/h6,9H,3-5,7-8H2,1-2H3
InChIKeyYHUWOHNMIJQJHF-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.27
Rot. Bonds6

About 8-methyl-4-methylidenenon-7-enal

8-methyl-4-methylidenenon-7-enal (PubChem CID 59294718) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 8-methyl-4-methylidenenon-7-enal.

Molecular Properties

Compound Name8-methyl-4-methylidenenon-7-enal
PubChem CID59294718
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name8-methyl-4-methylidenenon-7-enal
SMILESC=C(CCC=O)CCC=C(C)C
InChIInChI=1S/C11H18O/c1-10(2)6-4-7-11(3)8-5-9-12/h6,9H,3-5,7-8H2,1-2H3
InChIKeyYHUWOHNMIJQJHF-UHFFFAOYSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-methyl-4-methylidenenon-7-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-methylidenenon-7-enal?
The IUPAC name of 8-methyl-4-methylidenenon-7-enal (CID 59294718) is 8-methyl-4-methylidenenon-7-enal.
What is the SMILES notation for 8-methyl-4-methylidenenon-7-enal?
The canonical SMILES for 8-methyl-4-methylidenenon-7-enal is C=C(CCC=O)CCC=C(C)C.
What is the InChIKey of 8-methyl-4-methylidenenon-7-enal?
The InChIKey is YHUWOHNMIJQJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-10(2)6-4-7-11(3)8-5-9-12/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of 8-methyl-4-methylidenenon-7-enal?
8-methyl-4-methylidenenon-7-enal has a molecular weight of 166.26 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-methylidenenon-7-enal is sourced from PubChem (CID 59294718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).