(3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one

C8H12O3 — CID 15934583

IUPAC(3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one
SMILESCOC1OC[C@@H]2C(=O)CC[C@H]12
InChIInChI=1S/C8H12O3/c1-10-8-5-2-3-7(9)6(5)4-11-8/h5-6,8H,2-4H2,1H3/t5-,6-,8?/m0/s1
InChIKeyGEGBNDGMGGEBNA-AJFZSALYSA-N
MW156.18 g/mol
LogP0.58
Rot. Bonds1

About (3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one

(3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one (PubChem CID 15934583) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one.

Molecular Properties

Compound Name(3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one
PubChem CID15934583
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one
SMILESCOC1OC[C@@H]2C(=O)CC[C@H]12
InChIInChI=1S/C8H12O3/c1-10-8-5-2-3-7(9)6(5)4-11-8/h5-6,8H,2-4H2,1H3/t5-,6-,8?/m0/s1
InChIKeyGEGBNDGMGGEBNA-AJFZSALYSA-N
XLogP0.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one with MolForge

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Related Compounds

(3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 15933477
3-Oxabicyclo[3.3.0]octane-2,7-dione, 4-methoxy-, trans-
CID 543128
1-[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one
CID 89603119
3,5-Dioxatricyclo[5.2.1.04,8]decan-10-one
CID 118520873
1-[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]propan-2-one
CID 142033867
(3aR,4R,6aR)-4-(dimethoxymethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-5-one
CID 10488246
(3R)-2-(1,3-dioxolan-2-yl)-3-methylcyclopentan-1-one
CID 11030265
(3aS,6aR)-3-hydroxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one
CID 11126369
2-Methoxy-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan-4-one
CID 12564344
1-[(2R,3S,3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]pentan-1-one
CID 15441440
1-[(2R,3R,3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]pentan-1-one
CID 15441441
4-(Dimethoxymethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-5-one
CID 85157328

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one?
The IUPAC name of (3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one (CID 15934583) is (3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one.
What is the SMILES notation for (3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one?
The canonical SMILES for (3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one is COC1OC[C@@H]2C(=O)CC[C@H]12.
What is the InChIKey of (3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one?
The InChIKey is GEGBNDGMGGEBNA-AJFZSALYSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-8-5-2-3-7(9)6(5)4-11-8/h5-6,8H,2-4H2,1H3/t5-,6-,8?/m0/s1.
What are the key properties of (3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one?
(3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one has a molecular weight of 156.18 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one is sourced from PubChem (CID 15934583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).