3-methylnon-4-ene

C10H20 — CID 543797

IUPAC3-methylnon-4-ene
SMILESCCCCC=CC(C)CC
InChIInChI=1S/C10H20/c1-4-6-7-8-9-10(3)5-2/h8-10H,4-7H2,1-3H3
InChIKeyZTKHMNVIURCTGG-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.78
Rot. Bonds5

About 3-methylnon-4-ene

3-methylnon-4-ene (PubChem CID 543797) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 3-methylnon-4-ene.

Molecular Properties

Compound Name3-methylnon-4-ene
PubChem CID543797
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name3-methylnon-4-ene
SMILESCCCCC=CC(C)CC
InChIInChI=1S/C10H20/c1-4-6-7-8-9-10(3)5-2/h8-10H,4-7H2,1-3H3
InChIKeyZTKHMNVIURCTGG-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.78
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylnon-4-ene?
The IUPAC name of 3-methylnon-4-ene (CID 543797) is 3-methylnon-4-ene.
What is the SMILES notation for 3-methylnon-4-ene?
The canonical SMILES for 3-methylnon-4-ene is CCCCC=CC(C)CC.
What is the InChIKey of 3-methylnon-4-ene?
The InChIKey is ZTKHMNVIURCTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-4-6-7-8-9-10(3)5-2/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-methylnon-4-ene?
3-methylnon-4-ene has a molecular weight of 140.27 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylnon-4-ene is sourced from PubChem (CID 543797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).