(3Z)-3-methylnona-1,3-diene

C10H18 — CID 13382654

IUPAC(3Z)-3-methylnona-1,3-diene
SMILESC=C/C(C)=C\CCCCC
InChIInChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h5,9H,2,4,6-8H2,1,3H3/b10-9-
InChIKeyJHRQUWCTFNNOLW-KTKRTIGZSA-N
MW138.25 g/mol
LogP3.70
Rot. Bonds5

About (3Z)-3-methylnona-1,3-diene

(3Z)-3-methylnona-1,3-diene (PubChem CID 13382654) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (3Z)-3-methylnona-1,3-diene.

Molecular Properties

Compound Name(3Z)-3-methylnona-1,3-diene
PubChem CID13382654
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(3Z)-3-methylnona-1,3-diene
SMILESC=C/C(C)=C\CCCCC
InChIInChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h5,9H,2,4,6-8H2,1,3H3/b10-9-
InChIKeyJHRQUWCTFNNOLW-KTKRTIGZSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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 (3Z)-3-methylnona-1,3-diene 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 (3Z)-3-methylnona-1,3-diene?
The IUPAC name of (3Z)-3-methylnona-1,3-diene (CID 13382654) is (3Z)-3-methylnona-1,3-diene.
What is the SMILES notation for (3Z)-3-methylnona-1,3-diene?
The canonical SMILES for (3Z)-3-methylnona-1,3-diene is C=C/C(C)=C\CCCCC.
What is the InChIKey of (3Z)-3-methylnona-1,3-diene?
The InChIKey is JHRQUWCTFNNOLW-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h5,9H,2,4,6-8H2,1,3H3/b10-9-.
What are the key properties of (3Z)-3-methylnona-1,3-diene?
(3Z)-3-methylnona-1,3-diene has a molecular weight of 138.25 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-methylnona-1,3-diene is sourced from PubChem (CID 13382654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).