(2S)-2-butyl-2,3-dihydropyran-4-one

C9H14O2 — CID 134896190

IUPAC(2S)-2-butyl-2,3-dihydropyran-4-one
SMILESCCCC[C@H]1CC(=O)C=CO1
InChIInChI=1S/C9H14O2/c1-2-3-4-9-7-8(10)5-6-11-9/h5-6,9H,2-4,7H2,1H3/t9-/m0/s1
InChIKeyJXBCBVFEKPPODV-VIFPVBQESA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds3

About (2S)-2-butyl-2,3-dihydropyran-4-one

(2S)-2-butyl-2,3-dihydropyran-4-one (PubChem CID 134896190) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2S)-2-butyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2S)-2-butyl-2,3-dihydropyran-4-one
PubChem CID134896190
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2S)-2-butyl-2,3-dihydropyran-4-one
SMILESCCCC[C@H]1CC(=O)C=CO1
InChIInChI=1S/C9H14O2/c1-2-3-4-9-7-8(10)5-6-11-9/h5-6,9H,2-4,7H2,1H3/t9-/m0/s1
InChIKeyJXBCBVFEKPPODV-VIFPVBQESA-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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Related Compounds

2-ethyl-3,4-dihydro-2H-pyran-4-one
CID 13197910
(2R)-2-pentyl-2,3-dihydropyran-4-one
CID 12016843
(2S)-2-pentyl-2,3-dihydropyran-4-one
CID 10197880
4H-Pyran-4-one, 2-butyl-2,3-dihydro-
CID 10920723
(1E)-1-methoxy-1-decen-3-one
CID 14063551
2-Butyl-5-methyl-2,3-dihydropyran-4-one
CID 130036444
(2R)-2-heptyl-5-methyl-2,3-dihydropyran-4-one
CID 135075580
(3R)-3-methyl-2-pentyl-2,3-dihydropyran-4-one
CID 135080588
2-(5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluorodecyl)-2,3-dihydropyran-4-one
CID 10950806
2-(1,1,2,2,3,3,4,4-Octafluorobutyl)-2,3-dihydropyran-4-one
CID 15321294
2-(5,5,6,6,7,7,8,8,8-Nonafluorooctyl)-2,3-dihydropyran-4-one
CID 85746790
(2S)-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-2,3-dihydropyran-4-one
CID 101060060

Frequently Asked Questions

What is the IUPAC name of (2S)-2-butyl-2,3-dihydropyran-4-one?
The IUPAC name of (2S)-2-butyl-2,3-dihydropyran-4-one (CID 134896190) is (2S)-2-butyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2S)-2-butyl-2,3-dihydropyran-4-one?
The canonical SMILES for (2S)-2-butyl-2,3-dihydropyran-4-one is CCCC[C@H]1CC(=O)C=CO1.
What is the InChIKey of (2S)-2-butyl-2,3-dihydropyran-4-one?
The InChIKey is JXBCBVFEKPPODV-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-4-9-7-8(10)5-6-11-9/h5-6,9H,2-4,7H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-butyl-2,3-dihydropyran-4-one?
(2S)-2-butyl-2,3-dihydropyran-4-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)-2-butyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 134896190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).