(3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C9H14O2 — CID 139265865

IUPAC(3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCC[C@H]1C(=O)O[C@H]2CCC[C@H]21
InChIInChI=1S/C9H14O2/c1-2-6-7-4-3-5-8(7)11-9(6)10/h6-8H,2-5H2,1H3/t6-,7+,8+/m1/s1
InChIKeyJEWRSVRZYFNFIK-CSMHCCOUSA-N
MW154.21 g/mol
LogP1.74
Rot. Bonds1

About (3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 139265865) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID139265865
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCC[C@H]1C(=O)O[C@H]2CCC[C@H]21
InChIInChI=1S/C9H14O2/c1-2-6-7-4-3-5-8(7)11-9(6)10/h6-8H,2-5H2,1H3/t6-,7+,8+/m1/s1
InChIKeyJEWRSVRZYFNFIK-CSMHCCOUSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one with MolForge

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Related Compounds

5-Butyl-4-methyldihydro-2(3H)-furanone
CID 62900
2(3H)-Furanone, dihydro-4-methyl-5-pentyl-
CID 97707
3-Methyl-gamma-decalactone
CID 106756
3-Heptyldihydro-5-methyl-2(3H)-furanone
CID 61990
2(3H)-Furanone, 5-butyldihydro-4-methyl-, cis-
CID 41285
5-Butyl-4-methyldihydro-2(3H)-furanone, trans-
CID 11084123
5-Butyl-4-methyldihydro-2(3H)-furanone, trans-(-)-
CID 11105597
10-Methylundecan-4-olide
CID 21778194
10-Methyldodecan-4-olide
CID 21778195
Dihydro-4-methyl-5-(3-methylbutyl)-2(3H)-furanone
CID 110667
6-Methyl-2-oxaspiro[4.4]nonane-1-one
CID 10511073
5-Butyl-4-methyldihydro-2(3H)-furanone, cis-(-)-
CID 11094871

Frequently Asked Questions

What is the IUPAC name of (3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 139265865) is (3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is CC[C@H]1C(=O)O[C@H]2CCC[C@H]21.
What is the InChIKey of (3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is JEWRSVRZYFNFIK-CSMHCCOUSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-6-7-4-3-5-8(7)11-9(6)10/h6-8H,2-5H2,1H3/t6-,7+,8+/m1/s1.
What are the key properties of (3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 139265865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).