2-methylpentane

C6H13- — CID 91601298

IUPAC2-methylpentane
SMILES[CH2-]CCC(C)C
InChIInChI=1S/C6H13/c1-4-5-6(2)3/h6H,1,4-5H2,2-3H3/q-1
InChIKeyLIORARJWVKONHI-UHFFFAOYSA-N
MW85.17 g/mol
LogP2.26
Rot. Bonds2

About 2-methylpentane

2-methylpentane (PubChem CID 91601298) has the molecular formula C6H13- and a molecular weight of 85.17 g/mol. Its IUPAC name is 2-methylpentane.

Molecular Properties

Compound Name2-methylpentane
PubChem CID91601298
Molecular FormulaC6H13-
Molecular Weight85.17 g/mol
Exact Mass85.10
IUPAC Name2-methylpentane
SMILES[CH2-]CCC(C)C
InChIInChI=1S/C6H13/c1-4-5-6(2)3/h6H,1,4-5H2,2-3H3/q-1
InChIKeyLIORARJWVKONHI-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.17
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentane?
The IUPAC name of 2-methylpentane (CID 91601298) is 2-methylpentane.
What is the SMILES notation for 2-methylpentane?
The canonical SMILES for 2-methylpentane is [CH2-]CCC(C)C.
What is the InChIKey of 2-methylpentane?
The InChIKey is LIORARJWVKONHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13/c1-4-5-6(2)3/h6H,1,4-5H2,2-3H3/q-1.
What are the key properties of 2-methylpentane?
2-methylpentane has a molecular weight of 85.17 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentane is sourced from PubChem (CID 91601298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).