4-butyl-3-chloro-2-(2-methylpropyl)-2H-furan-5-one

C12H19ClO2 — CID 11183837

IUPAC4-butyl-3-chloro-2-(2-methylpropyl)-2H-furan-5-one
SMILESCCCCC1=C(Cl)C(CC(C)C)OC1=O
InChIInChI=1S/C12H19ClO2/c1-4-5-6-9-11(13)10(7-8(2)3)15-12(9)14/h8,10H,4-7H2,1-3H3
InChIKeyFGBZMZICIOHBRR-UHFFFAOYSA-N
MW230.73 g/mol
LogP3.64
Rot. Bonds5

About 4-butyl-3-chloro-2-(2-methylpropyl)-2H-furan-5-one

4-butyl-3-chloro-2-(2-methylpropyl)-2H-furan-5-one (PubChem CID 11183837) has the molecular formula C12H19ClO2 and a molecular weight of 230.73 g/mol. Its IUPAC name is 4-butyl-3-chloro-2-(2-methylpropyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-butyl-3-chloro-2-(2-methylpropyl)-2H-furan-5-one
PubChem CID11183837
Molecular FormulaC12H19ClO2
Molecular Weight230.73 g/mol
Exact Mass230.11
IUPAC Name4-butyl-3-chloro-2-(2-methylpropyl)-2H-furan-5-one
SMILESCCCCC1=C(Cl)C(CC(C)C)OC1=O
InChIInChI=1S/C12H19ClO2/c1-4-5-6-9-11(13)10(7-8(2)3)15-12(9)14/h8,10H,4-7H2,1-3H3
InChIKeyFGBZMZICIOHBRR-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.73
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 2-chlorocyclopentene-1-carboxylate
CID 14902751
(2R)-3-chloro-4-methyl-2-pentyl-2H-furan-5-one
CID 68176246
1-O-methyl 4-O-propan-2-yl (Z)-2-methyl-3-(3-methylbutyl)but-2-enedioate
CID 174984016
4-butyl-3-chloro-2-pentyl-2H-furan-5-one
CID 11149239
(2S)-3-chloro-2-hexyl-4-methyl-2H-furan-5-one
CID 11183540
3-chloro-2-ethyl-4-hexyl-2H-furan-5-one
CID 11241717
4-butyl-3-chloro-2-cyclohexyl-2H-furan-5-one
CID 11253885
4-butyl-3-chloro-2-methyl-2H-furan-5-one
CID 11344473
2-butyl-4-tert-butyl-3-chloro-2H-furan-5-one
CID 11345253
2-butyl-3-chloro-4-propyl-2H-furan-5-one
CID 11356381
4-butyl-3-chloro-2-propyl-2H-furan-5-one
CID 11424483
2-butyl-3-chloro-4-pentyl-2H-furan-5-one
CID 11436495

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-chloro-2-(2-methylpropyl)-2H-furan-5-one?
The IUPAC name of 4-butyl-3-chloro-2-(2-methylpropyl)-2H-furan-5-one (CID 11183837) is 4-butyl-3-chloro-2-(2-methylpropyl)-2H-furan-5-one.
What is the SMILES notation for 4-butyl-3-chloro-2-(2-methylpropyl)-2H-furan-5-one?
The canonical SMILES for 4-butyl-3-chloro-2-(2-methylpropyl)-2H-furan-5-one is CCCCC1=C(Cl)C(CC(C)C)OC1=O.
What is the InChIKey of 4-butyl-3-chloro-2-(2-methylpropyl)-2H-furan-5-one?
The InChIKey is FGBZMZICIOHBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClO2/c1-4-5-6-9-11(13)10(7-8(2)3)15-12(9)14/h8,10H,4-7H2,1-3H3.
What are the key properties of 4-butyl-3-chloro-2-(2-methylpropyl)-2H-furan-5-one?
4-butyl-3-chloro-2-(2-methylpropyl)-2H-furan-5-one has a molecular weight of 230.73 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-chloro-2-(2-methylpropyl)-2H-furan-5-one is sourced from PubChem (CID 11183837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).