3-methylnona-1,2-diene

C10H18 — CID 15570329

IUPAC3-methylnona-1,2-diene
SMILESC=C=C(C)CCCCCC
InChIInChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h2,4,6-9H2,1,3H3
InChIKeyCASWNURPBNQLDL-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.69
Rot. Bonds5

About 3-methylnona-1,2-diene

3-methylnona-1,2-diene (PubChem CID 15570329) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 3-methylnona-1,2-diene.

Molecular Properties

Compound Name3-methylnona-1,2-diene
PubChem CID15570329
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name3-methylnona-1,2-diene
SMILESC=C=C(C)CCCCCC
InChIInChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h2,4,6-9H2,1,3H3
InChIKeyCASWNURPBNQLDL-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-methylnona-1,2-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 3-methylnona-1,2-diene?
The IUPAC name of 3-methylnona-1,2-diene (CID 15570329) is 3-methylnona-1,2-diene.
What is the SMILES notation for 3-methylnona-1,2-diene?
The canonical SMILES for 3-methylnona-1,2-diene is C=C=C(C)CCCCCC.
What is the InChIKey of 3-methylnona-1,2-diene?
The InChIKey is CASWNURPBNQLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h2,4,6-9H2,1,3H3.
What are the key properties of 3-methylnona-1,2-diene?
3-methylnona-1,2-diene has a molecular weight of 138.25 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylnona-1,2-diene is sourced from PubChem (CID 15570329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).