2-methyloctane

C9H20 — CID 18591

IUPAC2-methyloctane
SMILESCCCCCCC(C)C
InChIInChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3
InChIKeyZUBZATZOEPUUQF-UHFFFAOYSA-N
MW128.26 g/mol
LogP3.61
Rot. Bonds5

About 2-methyloctane

2-methyloctane (PubChem CID 18591) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is 2-methyloctane.

Molecular Properties

Compound Name2-methyloctane
PubChem CID18591
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Name2-methyloctane
SMILESCCCCCCC(C)C
InChIInChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3
InChIKeyZUBZATZOEPUUQF-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyloctane?
The IUPAC name of 2-methyloctane (CID 18591) is 2-methyloctane.
What is the SMILES notation for 2-methyloctane?
The canonical SMILES for 2-methyloctane is CCCCCCC(C)C.
What is the InChIKey of 2-methyloctane?
The InChIKey is ZUBZATZOEPUUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 2-methyloctane?
2-methyloctane has a molecular weight of 128.26 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloctane is sourced from PubChem (CID 18591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).