2,7-dimethyloctane

C10H22 — CID 14070

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

About 2,7-dimethyloctane

2,7-dimethyloctane (PubChem CID 14070) has the molecular formula C10H22 and a molecular weight of 142.29 g/mol. Its IUPAC name is 2,7-dimethyloctane.

Molecular Properties

Compound Name2,7-dimethyloctane
PubChem CID14070
Molecular FormulaC10H22
Molecular Weight142.29 g/mol
Exact Mass142.17
IUPAC Name2,7-dimethyloctane
SMILESCC(C)CCCCC(C)C
InChIInChI=1S/C10H22/c1-9(2)7-5-6-8-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyKEVMYFLMMDUPJE-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 2,7-dimethyloctane?
The IUPAC name of 2,7-dimethyloctane (CID 14070) is 2,7-dimethyloctane.
What is the SMILES notation for 2,7-dimethyloctane?
The canonical SMILES for 2,7-dimethyloctane is CC(C)CCCCC(C)C.
What is the InChIKey of 2,7-dimethyloctane?
The InChIKey is KEVMYFLMMDUPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22/c1-9(2)7-5-6-8-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2,7-dimethyloctane?
2,7-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 2,7-dimethyloctane is sourced from PubChem (CID 14070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).