2-butyl-3-chloro-4-propyl-2H-furan-5-one

C11H17ClO2 — CID 11356381

IUPAC2-butyl-3-chloro-4-propyl-2H-furan-5-one
SMILESCCCCC1OC(=O)C(CCC)=C1Cl
InChIInChI=1S/C11H17ClO2/c1-3-5-7-9-10(12)8(6-4-2)11(13)14-9/h9H,3-7H2,1-2H3
InChIKeyDNXCHROKMMDQLJ-UHFFFAOYSA-N
MW216.71 g/mol
LogP3.39
Rot. Bonds5

About 2-butyl-3-chloro-4-propyl-2H-furan-5-one

2-butyl-3-chloro-4-propyl-2H-furan-5-one (PubChem CID 11356381) has the molecular formula C11H17ClO2 and a molecular weight of 216.71 g/mol. Its IUPAC name is 2-butyl-3-chloro-4-propyl-2H-furan-5-one.

Molecular Properties

Compound Name2-butyl-3-chloro-4-propyl-2H-furan-5-one
PubChem CID11356381
Molecular FormulaC11H17ClO2
Molecular Weight216.71 g/mol
Exact Mass216.09
IUPAC Name2-butyl-3-chloro-4-propyl-2H-furan-5-one
SMILESCCCCC1OC(=O)C(CCC)=C1Cl
InChIInChI=1S/C11H17ClO2/c1-3-5-7-9-10(12)8(6-4-2)11(13)14-9/h9H,3-7H2,1-2H3
InChIKeyDNXCHROKMMDQLJ-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-3,4-dichloro-2H-furan-5-one
CID 155934790
Ethyl 2-chlorocyclopentene-1-carboxylate
CID 14902751
2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)acetyl chloride
CID 17770096
(2R)-3-chloro-4-methyl-2-pentyl-2H-furan-5-one
CID 68176246
1-Chloro-1-(2-oxocyclopentylidene)propan-2-yl acetate
CID 71014140
[(1Z)-1-chloro-1-(2-oxocyclopentylidene)propan-2-yl] acetate
CID 71042652
[(1E)-1-chloro-1-(2-oxocyclopentylidene)propan-2-yl] acetate
CID 89188566
ethyl (Z)-3-chloro-2-propylhex-2-enoate
CID 101031693
Propan-2-yl 4-chloro-2-ethylcyclohexa-1,3-diene-1-carboxylate
CID 139918327
2-ethyl-3,4-dipropyl-2H-furan-5-one
CID 11074336
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

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-chloro-4-propyl-2H-furan-5-one?
The IUPAC name of 2-butyl-3-chloro-4-propyl-2H-furan-5-one (CID 11356381) is 2-butyl-3-chloro-4-propyl-2H-furan-5-one.
What is the SMILES notation for 2-butyl-3-chloro-4-propyl-2H-furan-5-one?
The canonical SMILES for 2-butyl-3-chloro-4-propyl-2H-furan-5-one is CCCCC1OC(=O)C(CCC)=C1Cl.
What is the InChIKey of 2-butyl-3-chloro-4-propyl-2H-furan-5-one?
The InChIKey is DNXCHROKMMDQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO2/c1-3-5-7-9-10(12)8(6-4-2)11(13)14-9/h9H,3-7H2,1-2H3.
What are the key properties of 2-butyl-3-chloro-4-propyl-2H-furan-5-one?
2-butyl-3-chloro-4-propyl-2H-furan-5-one has a molecular weight of 216.71 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-chloro-4-propyl-2H-furan-5-one is sourced from PubChem (CID 11356381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).