1-butyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one

C11H16O2 — CID 139238748

IUPAC1-butyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one
SMILESCCCCC1OC(=O)C2=C1CCC2
InChIInChI=1S/C11H16O2/c1-2-3-7-10-8-5-4-6-9(8)11(12)13-10/h10H,2-7H2,1H3
InChIKeyOQMAUGRURBJVEM-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.58
Rot. Bonds3

About 1-butyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one

1-butyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one (PubChem CID 139238748) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-butyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name1-butyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one
PubChem CID139238748
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-butyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one
SMILESCCCCC1OC(=O)C2=C1CCC2
InChIInChI=1S/C11H16O2/c1-2-3-7-10-8-5-4-6-9(8)11(12)13-10/h10H,2-7H2,1H3
InChIKeyOQMAUGRURBJVEM-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hexyl-3-methylmaleic anhydride
CID 11127184
3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester
CID 86111
13,13'-Dehydrohomoancepsenolide
CID 10045822
Homoancepsenolide
CID 10318257
(2S)-4-dodec-11-enyl-2-methyl-2H-furan-5-one
CID 10801599
Dimethyl 7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 304403
Dihydrobovolide, (+-)-
CID 13192443
(2R)-4-hexadecyl-2-methyl-2H-furan-5-one
CID 10687323
Ethyl 2-methylcyclopent-1-ene-1-carboxylate
CID 13416667
3,4-Hexanofuran-2,5-dione
CID 88024514
Tyromycin A
CID 132358
3-Methyl-4-tetradecyl-2,5-furandione
CID 11722830

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one?
The IUPAC name of 1-butyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one (CID 139238748) is 1-butyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 1-butyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 1-butyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one is CCCCC1OC(=O)C2=C1CCC2.
What is the InChIKey of 1-butyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one?
The InChIKey is OQMAUGRURBJVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-3-7-10-8-5-4-6-9(8)11(12)13-10/h10H,2-7H2,1H3.
What are the key properties of 1-butyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one?
1-butyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one has a molecular weight of 180.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 139238748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).