2-butyl-3,4-dimethyl-2H-furan-5-one

C10H16O2 — CID 67873447

IUPAC2-butyl-3,4-dimethyl-2H-furan-5-one
SMILESCCCCC1OC(=O)C(C)=C1C
InChIInChI=1S/C10H16O2/c1-4-5-6-9-7(2)8(3)10(11)12-9/h9H,4-6H2,1-3H3
InChIKeyBDPCSQHLNKKQAG-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds3

About 2-butyl-3,4-dimethyl-2H-furan-5-one

2-butyl-3,4-dimethyl-2H-furan-5-one (PubChem CID 67873447) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-butyl-3,4-dimethyl-2H-furan-5-one.

Molecular Properties

Compound Name2-butyl-3,4-dimethyl-2H-furan-5-one
PubChem CID67873447
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-butyl-3,4-dimethyl-2H-furan-5-one
SMILESCCCCC1OC(=O)C(C)=C1C
InChIInChI=1S/C10H16O2/c1-4-5-6-9-7(2)8(3)10(11)12-9/h9H,4-6H2,1-3H3
InChIKeyBDPCSQHLNKKQAG-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5E,9E,11aS)-3,6,10-Trimethyl-7,8,11,11a-tetrahydrocyclodeca[b]furan-2(4H)-one
CID 44593362
(+)-sarcophytoxin B
CID 14705435
Dihydrobovolide, (+-)-
CID 13192443
Seiridin
CID 190634
Pestalolide
CID 57342266
Pestalafuranone C
CID 139585320
Z-7H-5-Dehydro-4-oxofarnesen-11,13-carbolactone
CID 163184532
(8aS)-3-methyl-4,5,6,7,8,8a-hexahydrocyclohepta[b]furan-2-one
CID 44566803
3-[(5R)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one
CID 190635
3-[(5S)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one
CID 162850357
3,6,10-trimethyl-7,8,11,11a-tetrahydro-4H-cyclodeca[b]furan-2-one
CID 442251
Glechomanolide
CID 5281466

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3,4-dimethyl-2H-furan-5-one?
The IUPAC name of 2-butyl-3,4-dimethyl-2H-furan-5-one (CID 67873447) is 2-butyl-3,4-dimethyl-2H-furan-5-one.
What is the SMILES notation for 2-butyl-3,4-dimethyl-2H-furan-5-one?
The canonical SMILES for 2-butyl-3,4-dimethyl-2H-furan-5-one is CCCCC1OC(=O)C(C)=C1C.
What is the InChIKey of 2-butyl-3,4-dimethyl-2H-furan-5-one?
The InChIKey is BDPCSQHLNKKQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-5-6-9-7(2)8(3)10(11)12-9/h9H,4-6H2,1-3H3.
What are the key properties of 2-butyl-3,4-dimethyl-2H-furan-5-one?
2-butyl-3,4-dimethyl-2H-furan-5-one has a molecular weight of 168.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,4-dimethyl-2H-furan-5-one is sourced from PubChem (CID 67873447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).