1-(3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-yl)ethyl 2,2-dimethylbutanoate

C15H24O4 — CID 59872458

IUPAC1-(3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-yl)ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)C1CC2COC(=O)C2C1
InChIInChI=1S/C15H24O4/c1-5-15(3,4)14(17)19-9(2)10-6-11-8-18-13(16)12(11)7-10/h9-12H,5-8H2,1-4H3
InChIKeyDVWWKWRBNRRWLV-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.55
Rot. Bonds4

About 1-(3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-yl)ethyl 2,2-dimethylbutanoate

1-(3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-yl)ethyl 2,2-dimethylbutanoate (PubChem CID 59872458) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-yl)ethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name1-(3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-yl)ethyl 2,2-dimethylbutanoate
PubChem CID59872458
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name1-(3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-yl)ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)C1CC2COC(=O)C2C1
InChIInChI=1S/C15H24O4/c1-5-15(3,4)14(17)19-9(2)10-6-11-8-18-13(16)12(11)7-10/h9-12H,5-8H2,1-4H3
InChIKeyDVWWKWRBNRRWLV-UHFFFAOYSA-N
XLogP2.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-yl)ethyl 2,2-dimethylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,3aR,6aS)-3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 44523416
methyl 2-[(3aR,4S,6aS)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetate
CID 11030779
3-(3-Methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 45480934
(1S,3aR,4R,6aS)-6a-methyl-1-(3-oxobutyl)-4-propan-2-yl-3a,4,5,6-tetrahydro-1H-cyclopenta[c]furan-3-one
CID 44512746
1-[(2-Fluoro-2-methylbutoxy)methyl]-5-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 91003024
dimethyl (3aS,6R,6aS)-6-(iodomethyl)-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan-4,4-dicarboxylate
CID 11035972
diethyl (3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-5,5-dicarboxylate
CID 11380573
(3Ar,4r,5s,6as)-4-[(acetyloxy)methyl]-1-oxo-hexahydro-1h-cyclopenta[c]furan-5-yl acetate
CID 129759863
methyl 3-[(3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]propanoate
CID 134979225
ethyl 2-[(1R,4S,5S,8S)-6,6-dimethyl-10-oxo-3,9-dioxatricyclo[6.3.0.01,5]undecan-4-yl]acetate
CID 138984491
(5R,7S,8S)-4,4-dimethyl-8-propan-2-yloxycarbonyl-1-oxaspiro[4.4]nonane-7-carboxylic acid
CID 138984766
(3aR,5S,6R,6aS)-6-(hydroxymethyl)-3a,5-dimethyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
CID 139255254

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-yl)ethyl 2,2-dimethylbutanoate?
The IUPAC name of 1-(3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-yl)ethyl 2,2-dimethylbutanoate (CID 59872458) is 1-(3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-yl)ethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 1-(3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-yl)ethyl 2,2-dimethylbutanoate?
The canonical SMILES for 1-(3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-yl)ethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)C1CC2COC(=O)C2C1.
What is the InChIKey of 1-(3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-yl)ethyl 2,2-dimethylbutanoate?
The InChIKey is DVWWKWRBNRRWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-5-15(3,4)14(17)19-9(2)10-6-11-8-18-13(16)12(11)7-10/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-(3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-yl)ethyl 2,2-dimethylbutanoate?
1-(3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-yl)ethyl 2,2-dimethylbutanoate has a molecular weight of 268.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-yl)ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 59872458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).