(3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C10H16O2 — CID 10419568

IUPAC(3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCC(C)[C@@H]1CC[C@H]2OC(=O)C[C@H]21
InChIInChI=1S/C10H16O2/c1-6(2)7-3-4-9-8(7)5-10(11)12-9/h6-9H,3-5H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyJPRAKHHUCHIAPN-XHNCKOQMSA-N
MW168.24 g/mol
LogP1.98
Rot. Bonds1

About (3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 10419568) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID10419568
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCC(C)[C@@H]1CC[C@H]2OC(=O)C[C@H]21
InChIInChI=1S/C10H16O2/c1-6(2)7-3-4-9-8(7)5-10(11)12-9/h6-9H,3-5H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyJPRAKHHUCHIAPN-XHNCKOQMSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one with MolForge

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Related Compounds

(3aR,4R,6aS)-4-(5,5-difluoro-2-methyl-6-oxononan-4-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 67578177
(3aS,4R,6aR)-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 102158850
(4S)-4-propan-2-yloxetan-2-one
CID 11126218
4-(4-propan-2-ylcyclohexyl)oxetan-2-one
CID 143582877
(3aR,4S,6aR)-5-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4-carbaldehyde
CID 59951925
(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)methyl acetate
CID 74025048
[(3aR,4R,6aS)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]methyl acetate
CID 23239991
4-propan-2-yl-5-propyloxolan-2-one
CID 86109593
(3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
CID 10997278
(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 67577941
8-methylidene-5-propan-2-ylbicyclo[4.2.0]octan-2-one
CID 13300880
(3aR,5R,6aS)-5-methyl-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde
CID 89135195

Frequently Asked Questions

What is the IUPAC name of (3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 10419568) is (3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is CC(C)[C@@H]1CC[C@H]2OC(=O)C[C@H]21.
What is the InChIKey of (3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is JPRAKHHUCHIAPN-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)7-3-4-9-8(7)5-10(11)12-9/h6-9H,3-5H2,1-2H3/t7-,8-,9+/m0/s1.
What are the key properties of (3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 10419568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).