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

C11H16O2 — CID 11355850

IUPAC4-butyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESCCCCC1=C2COCC2CC1=O
InChIInChI=1S/C11H16O2/c1-2-3-4-9-10-7-13-6-8(10)5-11(9)12/h8H,2-7H2,1H3
InChIKeyDDHABZTXHWFVQX-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.09
Rot. Bonds3

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

4-butyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 11355850) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-butyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name4-butyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID11355850
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-butyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESCCCCC1=C2COCC2CC1=O
InChIInChI=1S/C11H16O2/c1-2-3-4-9-10-7-13-6-8(10)5-11(9)12/h8H,2-7H2,1H3
InChIKeyDDHABZTXHWFVQX-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one
CID 24779709
6-Methyl-1,3,3a,4-tetrahydro-cyclopenta[c]furan-5-one
CID 10329360
1,1-dimethyl-3a,4-dihydro-1H-cyclopenta[c]furan-5(3H)-one
CID 13332066
4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione
CID 10419365
(6aS)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 11205784
1-Methyl-3a,4-dihydro-1H-cyclopenta[c]furan-5(3H)-one
CID 13332065
4-[Tert-butyl(dimethyl)silyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 15364598
(3S,6aS)-3-cyclohexyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 49817426
(6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 92543638
5-(2-Oxopropyl)-1,3,4,5,6,7-hexahydrocyclopenta[e][2]benzofuran-8-one
CID 134850959
7-Methyl-4,12-dioxatricyclo[8.3.0.02,6]trideca-1,6-dien-8-one
CID 134982117
3-But-3-enyl-4-prop-1-en-2-yl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 135023427

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of 4-butyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 11355850) is 4-butyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for 4-butyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for 4-butyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is CCCCC1=C2COCC2CC1=O.
What is the InChIKey of 4-butyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is DDHABZTXHWFVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-3-4-9-10-7-13-6-8(10)5-11(9)12/h8H,2-7H2,1H3.
What are the key properties of 4-butyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
4-butyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one has a molecular weight of 180.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 11355850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).