(1S,3aS,6aR)-1-propan-2-yl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

C10H16O2 — CID 101352885

IUPAC(1S,3aS,6aR)-1-propan-2-yl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESCC(C)[C@@H]1OC(=O)[C@H]2CCC[C@H]21
InChIInChI=1S/C10H16O2/c1-6(2)9-7-4-3-5-8(7)10(11)12-9/h6-9H,3-5H2,1-2H3/t7-,8+,9+/m1/s1
InChIKeyHKCMABHNZSWTET-VGMNWLOBSA-N
MW168.24 g/mol
LogP1.98
Rot. Bonds1

About (1S,3aS,6aR)-1-propan-2-yl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

(1S,3aS,6aR)-1-propan-2-yl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (PubChem CID 101352885) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1S,3aS,6aR)-1-propan-2-yl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name(1S,3aS,6aR)-1-propan-2-yl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
PubChem CID101352885
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1S,3aS,6aR)-1-propan-2-yl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESCC(C)[C@@H]1OC(=O)[C@H]2CCC[C@H]21
InChIInChI=1S/C10H16O2/c1-6(2)9-7-4-3-5-8(7)10(11)12-9/h6-9H,3-5H2,1-2H3/t7-,8+,9+/m1/s1
InChIKeyHKCMABHNZSWTET-VGMNWLOBSA-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 (1S,3aS,6aR)-1-propan-2-yl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one with MolForge

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Related Compounds

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(1R,12R)-13-oxabicyclo[10.2.0]tetradecan-14-one
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4-(3-oxo-1a,3a,4,5,6,7,7a,7b-octahydrooxireno[2,3-c]isochromen-6-yl)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
CID 163876864
(3S,3aS,7aR)-3-(4-bromophenyl)-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
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Frequently Asked Questions

What is the IUPAC name of (1S,3aS,6aR)-1-propan-2-yl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The IUPAC name of (1S,3aS,6aR)-1-propan-2-yl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (CID 101352885) is (1S,3aS,6aR)-1-propan-2-yl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for (1S,3aS,6aR)-1-propan-2-yl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The canonical SMILES for (1S,3aS,6aR)-1-propan-2-yl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is CC(C)[C@@H]1OC(=O)[C@H]2CCC[C@H]21.
What is the InChIKey of (1S,3aS,6aR)-1-propan-2-yl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The InChIKey is HKCMABHNZSWTET-VGMNWLOBSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)9-7-4-3-5-8(7)10(11)12-9/h6-9H,3-5H2,1-2H3/t7-,8+,9+/m1/s1.
What are the key properties of (1S,3aS,6aR)-1-propan-2-yl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
(1S,3aS,6aR)-1-propan-2-yl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-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 (1S,3aS,6aR)-1-propan-2-yl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 101352885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).