(2S)-4-butyl-2-methyl-2H-furan-5-one

C9H14O2 — CID 11105576

IUPAC(2S)-4-butyl-2-methyl-2H-furan-5-one
SMILESCCCCC1=C[C@H](C)OC1=O
InChIInChI=1S/C9H14O2/c1-3-4-5-8-6-7(2)11-9(8)10/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyRCSATRMLXFVWIJ-ZETCQYMHSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds3

About (2S)-4-butyl-2-methyl-2H-furan-5-one

(2S)-4-butyl-2-methyl-2H-furan-5-one (PubChem CID 11105576) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2S)-4-butyl-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-4-butyl-2-methyl-2H-furan-5-one
PubChem CID11105576
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2S)-4-butyl-2-methyl-2H-furan-5-one
SMILESCCCCC1=C[C@H](C)OC1=O
InChIInChI=1S/C9H14O2/c1-3-4-5-8-6-7(2)11-9(8)10/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyRCSATRMLXFVWIJ-ZETCQYMHSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-butyl-2-methyl-2H-furan-5-one?
The IUPAC name of (2S)-4-butyl-2-methyl-2H-furan-5-one (CID 11105576) is (2S)-4-butyl-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2S)-4-butyl-2-methyl-2H-furan-5-one?
The canonical SMILES for (2S)-4-butyl-2-methyl-2H-furan-5-one is CCCCC1=C[C@H](C)OC1=O.
What is the InChIKey of (2S)-4-butyl-2-methyl-2H-furan-5-one?
The InChIKey is RCSATRMLXFVWIJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-5-8-6-7(2)11-9(8)10/h6-7H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-4-butyl-2-methyl-2H-furan-5-one?
(2S)-4-butyl-2-methyl-2H-furan-5-one has a molecular weight of 154.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-butyl-2-methyl-2H-furan-5-one is sourced from PubChem (CID 11105576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).