5-methylnona-1,4,7-triene

C10H16 — CID 59970949

IUPAC5-methylnona-1,4,7-triene
SMILESC=CCC=C(C)CC=CC
InChIInChI=1S/C10H16/c1-4-6-8-10(3)9-7-5-2/h4-5,7-8H,1,6,9H2,2-3H3
InChIKeyXPOGJNBNJDNMDK-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.47
Rot. Bonds4

About 5-methylnona-1,4,7-triene

5-methylnona-1,4,7-triene (PubChem CID 59970949) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 5-methylnona-1,4,7-triene.

Molecular Properties

Compound Name5-methylnona-1,4,7-triene
PubChem CID59970949
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name5-methylnona-1,4,7-triene
SMILESC=CCC=C(C)CC=CC
InChIInChI=1S/C10H16/c1-4-6-8-10(3)9-7-5-2/h4-5,7-8H,1,6,9H2,2-3H3
InChIKeyXPOGJNBNJDNMDK-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylnona-1,4,7-triene?
The IUPAC name of 5-methylnona-1,4,7-triene (CID 59970949) is 5-methylnona-1,4,7-triene.
What is the SMILES notation for 5-methylnona-1,4,7-triene?
The canonical SMILES for 5-methylnona-1,4,7-triene is C=CCC=C(C)CC=CC.
What is the InChIKey of 5-methylnona-1,4,7-triene?
The InChIKey is XPOGJNBNJDNMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-6-8-10(3)9-7-5-2/h4-5,7-8H,1,6,9H2,2-3H3.
What are the key properties of 5-methylnona-1,4,7-triene?
5-methylnona-1,4,7-triene has a molecular weight of 136.24 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylnona-1,4,7-triene is sourced from PubChem (CID 59970949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).