3-methylpentane

C6H14 — CID 7282

IUPAC3-methylpentane
SMILESCCC(C)CC
InChIInChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3
InChIKeyPFEOZHBOMNWTJB-UHFFFAOYSA-N
MW86.18 g/mol
LogP2.44
Rot. Bonds2

About 3-methylpentane

3-methylpentane (PubChem CID 7282) has the molecular formula C6H14 and a molecular weight of 86.18 g/mol. Its IUPAC name is 3-methylpentane.

Molecular Properties

Compound Name3-methylpentane
PubChem CID7282
Molecular FormulaC6H14
Molecular Weight86.18 g/mol
Exact Mass86.11
IUPAC Name3-methylpentane
SMILESCCC(C)CC
InChIInChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3
InChIKeyPFEOZHBOMNWTJB-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.18
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methylpentane?
The IUPAC name of 3-methylpentane (CID 7282) is 3-methylpentane.
What is the SMILES notation for 3-methylpentane?
The canonical SMILES for 3-methylpentane is CCC(C)CC.
What is the InChIKey of 3-methylpentane?
The InChIKey is PFEOZHBOMNWTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3.
What are the key properties of 3-methylpentane?
3-methylpentane has a molecular weight of 86.18 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentane is sourced from PubChem (CID 7282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).