(5E)-2-methylnona-2,3,5-triene

C10H16 — CID 14173231

IUPAC(5E)-2-methylnona-2,3,5-triene
SMILESCCC/C=C/C=C=C(C)C
InChIInChI=1S/C10H16/c1-4-5-6-7-8-9-10(2)3/h6-8H,4-5H2,1-3H3/b7-6+
InChIKeyCUSMQBZRRONKAH-VOTSOKGWSA-N
MW136.24 g/mol
LogP3.46
Rot. Bonds3

About (5E)-2-methylnona-2,3,5-triene

(5E)-2-methylnona-2,3,5-triene (PubChem CID 14173231) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (5E)-2-methylnona-2,3,5-triene.

Molecular Properties

Compound Name(5E)-2-methylnona-2,3,5-triene
PubChem CID14173231
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(5E)-2-methylnona-2,3,5-triene
SMILESCCC/C=C/C=C=C(C)C
InChIInChI=1S/C10H16/c1-4-5-6-7-8-9-10(2)3/h6-8H,4-5H2,1-3H3/b7-6+
InChIKeyCUSMQBZRRONKAH-VOTSOKGWSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-methylnona-2,3,5-triene?
The IUPAC name of (5E)-2-methylnona-2,3,5-triene (CID 14173231) is (5E)-2-methylnona-2,3,5-triene.
What is the SMILES notation for (5E)-2-methylnona-2,3,5-triene?
The canonical SMILES for (5E)-2-methylnona-2,3,5-triene is CCC/C=C/C=C=C(C)C.
What is the InChIKey of (5E)-2-methylnona-2,3,5-triene?
The InChIKey is CUSMQBZRRONKAH-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H16/c1-4-5-6-7-8-9-10(2)3/h6-8H,4-5H2,1-3H3/b7-6+.
What are the key properties of (5E)-2-methylnona-2,3,5-triene?
(5E)-2-methylnona-2,3,5-triene has a molecular weight of 136.24 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-methylnona-2,3,5-triene is sourced from PubChem (CID 14173231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).