4-methylnona-2,4-diene

C10H18 — CID 123785331

IUPAC4-methylnona-2,4-diene
SMILESCC=CC(C)=CCCCC
InChIInChI=1S/C10H18/c1-4-6-7-9-10(3)8-5-2/h5,8-9H,4,6-7H2,1-3H3
InChIKeyAEJXYYMEMMSYMF-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.70
Rot. Bonds4

About 4-methylnona-2,4-diene

4-methylnona-2,4-diene (PubChem CID 123785331) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 4-methylnona-2,4-diene.

Molecular Properties

Compound Name4-methylnona-2,4-diene
PubChem CID123785331
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name4-methylnona-2,4-diene
SMILESCC=CC(C)=CCCCC
InChIInChI=1S/C10H18/c1-4-6-7-9-10(3)8-5-2/h5,8-9H,4,6-7H2,1-3H3
InChIKeyAEJXYYMEMMSYMF-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-methylnona-2,4-diene with MolForge

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

Launch Full Analysis

Related Compounds

(2E,4Z)-4-methylnona-2,4-diene
CID 139728618
ethane;(2Z,4Z)-4-methylocta-2,4-diene
CID 176669998
(Z)-5-[(E)-prop-1-enyl]dec-5-ene
CID 102402964
ethyl (2E,4E)-4-methylnona-2,4-dienoate
CID 121007726
(3E)-4-methyldeca-3,5-diene
CID 173452678
(E)-N,N-dimethyl-2-[(Z)-prop-1-enyl]hept-2-en-1-amine
CID 167054531
benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene
CID 144597093
(3E)-3-methylnona-1,3-diene
CID 13382655
(2Z,4Z)-4-methyl-6-methylidenedeca-2,4-diene
CID 142960534
(4E)-2,4-dimethylundeca-2,4-diene
CID 102247749
(3Z)-3-methyldodeca-1,3-diene
CID 13382661
(2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine
CID 55299916

Frequently Asked Questions

What is the IUPAC name of 4-methylnona-2,4-diene?
The IUPAC name of 4-methylnona-2,4-diene (CID 123785331) is 4-methylnona-2,4-diene.
What is the SMILES notation for 4-methylnona-2,4-diene?
The canonical SMILES for 4-methylnona-2,4-diene is CC=CC(C)=CCCCC.
What is the InChIKey of 4-methylnona-2,4-diene?
The InChIKey is AEJXYYMEMMSYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-6-7-9-10(3)8-5-2/h5,8-9H,4,6-7H2,1-3H3.
What are the key properties of 4-methylnona-2,4-diene?
4-methylnona-2,4-diene has a molecular weight of 138.25 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnona-2,4-diene is sourced from PubChem (CID 123785331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).