4-(3-oxopentyl)-4H-pyran-3-one

C10H14O3 — CID 11787547

IUPAC4-(3-oxopentyl)-4H-pyran-3-one
SMILESCCC(=O)CCC1C=COCC1=O
InChIInChI=1S/C10H14O3/c1-2-9(11)4-3-8-5-6-13-7-10(8)12/h5-6,8H,2-4,7H2,1H3
InChIKeyIXXVSNLDRCIMMF-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.47
Rot. Bonds4

About 4-(3-oxopentyl)-4H-pyran-3-one

4-(3-oxopentyl)-4H-pyran-3-one (PubChem CID 11787547) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(3-oxopentyl)-4H-pyran-3-one.

Molecular Properties

Compound Name4-(3-oxopentyl)-4H-pyran-3-one
PubChem CID11787547
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name4-(3-oxopentyl)-4H-pyran-3-one
SMILESCCC(=O)CCC1C=COCC1=O
InChIInChI=1S/C10H14O3/c1-2-9(11)4-3-8-5-6-13-7-10(8)12/h5-6,8H,2-4,7H2,1H3
InChIKeyIXXVSNLDRCIMMF-UHFFFAOYSA-N
XLogP1.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Octan-3-ylpyran-3,4-dione
CID 21397293
4-Methylpent-1-enyl 2-cyclohexyl-2-oxoacetate
CID 140995903
1-methoxy-3-[(2E)-2-(methoxymethylidene)cyclohexyl]propan-2-one
CID 10680051
1-methoxy-4-[(2E)-2-(methoxymethylidene)cyclohexyl]butan-2-one
CID 11107055
1-Oxaspiro[5.5]undec-2-en-5-one
CID 15155872
1-methoxy-4-[(1R,2E)-2-(methoxymethylidene)cyclohexyl]butan-2-one
CID 15858031
1-methoxy-3-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one
CID 23238514
1-methoxy-4-[(1R,2Z)-2-(methoxymethylidene)cyclohexyl]butan-2-one
CID 100938108
(4R)-4-(3-oxobutyl)-4H-pyran-3-one
CID 101032356
(4R)-4-(3-oxopentyl)-4H-pyran-3-one
CID 101032357
1-Cyclohexyl-2-methoxypent-4-en-1-one
CID 101377051
1-Cyclohexyl-2-pent-4-enoxyethanone
CID 104752146

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxopentyl)-4H-pyran-3-one?
The IUPAC name of 4-(3-oxopentyl)-4H-pyran-3-one (CID 11787547) is 4-(3-oxopentyl)-4H-pyran-3-one.
What is the SMILES notation for 4-(3-oxopentyl)-4H-pyran-3-one?
The canonical SMILES for 4-(3-oxopentyl)-4H-pyran-3-one is CCC(=O)CCC1C=COCC1=O.
What is the InChIKey of 4-(3-oxopentyl)-4H-pyran-3-one?
The InChIKey is IXXVSNLDRCIMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-9(11)4-3-8-5-6-13-7-10(8)12/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 4-(3-oxopentyl)-4H-pyran-3-one?
4-(3-oxopentyl)-4H-pyran-3-one has a molecular weight of 182.22 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxopentyl)-4H-pyran-3-one is sourced from PubChem (CID 11787547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).