3-ethylpentane

C7H16 — CID 12048

IUPAC3-ethylpentane
SMILESCCC(CC)CC
InChIInChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3
InChIKeyAORMDLNPRGXHHL-UHFFFAOYSA-N
MW100.20 g/mol
LogP2.83
Rot. Bonds3

About 3-ethylpentane

3-ethylpentane (PubChem CID 12048) has the molecular formula C7H16 and a molecular weight of 100.20 g/mol. Its IUPAC name is 3-ethylpentane.

Molecular Properties

Compound Name3-ethylpentane
PubChem CID12048
Molecular FormulaC7H16
Molecular Weight100.20 g/mol
Exact Mass100.13
IUPAC Name3-ethylpentane
SMILESCCC(CC)CC
InChIInChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3
InChIKeyAORMDLNPRGXHHL-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.20
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-ethylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethylpentane?
The IUPAC name of 3-ethylpentane (CID 12048) is 3-ethylpentane.
What is the SMILES notation for 3-ethylpentane?
The canonical SMILES for 3-ethylpentane is CCC(CC)CC.
What is the InChIKey of 3-ethylpentane?
The InChIKey is AORMDLNPRGXHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3.
What are the key properties of 3-ethylpentane?
3-ethylpentane has a molecular weight of 100.20 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentane is sourced from PubChem (CID 12048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).