2-methylpentan-3-one

C6H12O — CID 11265

IUPAC2-methylpentan-3-one
SMILESCCC(=O)C(C)C
InChIInChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3
InChIKeyHYTRYEXINDDXJK-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.62
Rot. Bonds2

About 2-methylpentan-3-one

2-methylpentan-3-one (PubChem CID 11265) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 2-methylpentan-3-one.

Molecular Properties

Compound Name2-methylpentan-3-one
PubChem CID11265
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name2-methylpentan-3-one
SMILESCCC(=O)C(C)C
InChIInChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3
InChIKeyHYTRYEXINDDXJK-UHFFFAOYSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-3-one?
The IUPAC name of 2-methylpentan-3-one (CID 11265) is 2-methylpentan-3-one.
What is the SMILES notation for 2-methylpentan-3-one?
The canonical SMILES for 2-methylpentan-3-one is CCC(=O)C(C)C.
What is the InChIKey of 2-methylpentan-3-one?
The InChIKey is HYTRYEXINDDXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3.
What are the key properties of 2-methylpentan-3-one?
2-methylpentan-3-one has a molecular weight of 100.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-3-one is sourced from PubChem (CID 11265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).