2,3-dimethyloctane

C10H22 — CID 23531

IUPAC2,3-dimethyloctane
SMILESCCCCCC(C)C(C)C
InChIInChI=1S/C10H22/c1-5-6-7-8-10(4)9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyYPMNDMUOGQJCLW-UHFFFAOYSA-N
MW142.29 g/mol
LogP3.86
Rot. Bonds5

About 2,3-dimethyloctane

2,3-dimethyloctane (PubChem CID 23531) has the molecular formula C10H22 and a molecular weight of 142.29 g/mol. Its IUPAC name is 2,3-dimethyloctane.

Molecular Properties

Compound Name2,3-dimethyloctane
PubChem CID23531
Molecular FormulaC10H22
Molecular Weight142.29 g/mol
Exact Mass142.17
IUPAC Name2,3-dimethyloctane
SMILESCCCCCC(C)C(C)C
InChIInChI=1S/C10H22/c1-5-6-7-8-10(4)9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyYPMNDMUOGQJCLW-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.29
LogP ≤ 53.86
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 2,3-dimethyloctane?
The IUPAC name of 2,3-dimethyloctane (CID 23531) is 2,3-dimethyloctane.
What is the SMILES notation for 2,3-dimethyloctane?
The canonical SMILES for 2,3-dimethyloctane is CCCCCC(C)C(C)C.
What is the InChIKey of 2,3-dimethyloctane?
The InChIKey is YPMNDMUOGQJCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22/c1-5-6-7-8-10(4)9(2)3/h9-10H,5-8H2,1-4H3.
What are the key properties of 2,3-dimethyloctane?
2,3-dimethyloctane has a molecular weight of 142.29 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyloctane is sourced from PubChem (CID 23531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).