(7E)-2-methylnona-1,7-diene

C10H18 — CID 23197153

IUPAC(7E)-2-methylnona-1,7-diene
SMILESC=C(C)CCCC/C=C/C
InChIInChI=1S/C10H18/c1-4-5-6-7-8-9-10(2)3/h4-5H,2,6-9H2,1,3H3/b5-4+
InChIKeyRETWOANBJJSVKQ-SNAWJCMRSA-N
MW138.25 g/mol
LogP3.70
Rot. Bonds5

About (7E)-2-methylnona-1,7-diene

(7E)-2-methylnona-1,7-diene (PubChem CID 23197153) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (7E)-2-methylnona-1,7-diene.

Molecular Properties

Compound Name(7E)-2-methylnona-1,7-diene
PubChem CID23197153
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(7E)-2-methylnona-1,7-diene
SMILESC=C(C)CCCC/C=C/C
InChIInChI=1S/C10H18/c1-4-5-6-7-8-9-10(2)3/h4-5H,2,6-9H2,1,3H3/b5-4+
InChIKeyRETWOANBJJSVKQ-SNAWJCMRSA-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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7E)-2-methylnona-1,7-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 (7E)-2-methylnona-1,7-diene?
The IUPAC name of (7E)-2-methylnona-1,7-diene (CID 23197153) is (7E)-2-methylnona-1,7-diene.
What is the SMILES notation for (7E)-2-methylnona-1,7-diene?
The canonical SMILES for (7E)-2-methylnona-1,7-diene is C=C(C)CCCC/C=C/C.
What is the InChIKey of (7E)-2-methylnona-1,7-diene?
The InChIKey is RETWOANBJJSVKQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18/c1-4-5-6-7-8-9-10(2)3/h4-5H,2,6-9H2,1,3H3/b5-4+.
What are the key properties of (7E)-2-methylnona-1,7-diene?
(7E)-2-methylnona-1,7-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 (7E)-2-methylnona-1,7-diene is sourced from PubChem (CID 23197153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).