5-methyloct-1-ene

C9H18 — CID 527118

IUPAC5-methyloct-1-ene
SMILESC=CCCC(C)CCC
InChIInChI=1S/C9H18/c1-4-6-8-9(3)7-5-2/h4,9H,1,5-8H2,2-3H3
InChIKeyNGXVSPIYGVZKOB-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.39
Rot. Bonds5

About 5-methyloct-1-ene

5-methyloct-1-ene (PubChem CID 527118) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 5-methyloct-1-ene.

Molecular Properties

Compound Name5-methyloct-1-ene
PubChem CID527118
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name5-methyloct-1-ene
SMILESC=CCCC(C)CCC
InChIInChI=1S/C9H18/c1-4-6-8-9(3)7-5-2/h4,9H,1,5-8H2,2-3H3
InChIKeyNGXVSPIYGVZKOB-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.39
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-methyloct-1-ene?
The IUPAC name of 5-methyloct-1-ene (CID 527118) is 5-methyloct-1-ene.
What is the SMILES notation for 5-methyloct-1-ene?
The canonical SMILES for 5-methyloct-1-ene is C=CCCC(C)CCC.
What is the InChIKey of 5-methyloct-1-ene?
The InChIKey is NGXVSPIYGVZKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-4-6-8-9(3)7-5-2/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 5-methyloct-1-ene?
5-methyloct-1-ene has a molecular weight of 126.24 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloct-1-ene is sourced from PubChem (CID 527118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).