4-(1,3-dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C11H16O5 — CID 22085168

IUPAC4-(1,3-dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCOC1CC2OC(=O)CC2C1C1OCCO1
InChIInChI=1S/C11H16O5/c1-13-8-5-7-6(4-9(12)16-7)10(8)11-14-2-3-15-11/h6-8,10-11H,2-5H2,1H3
InChIKeyNLFRMRTYEUIERH-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.33
Rot. Bonds2

About 4-(1,3-dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

4-(1,3-dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 22085168) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID22085168
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name4-(1,3-dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCOC1CC2OC(=O)CC2C1C1OCCO1
InChIInChI=1S/C11H16O5/c1-13-8-5-7-6(4-9(12)16-7)10(8)11-14-2-3-15-11/h6-8,10-11H,2-5H2,1H3
InChIKeyNLFRMRTYEUIERH-UHFFFAOYSA-N
XLogP0.33
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1,3-dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one with MolForge

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Related Compounds

(3aR,4R,5R,6aS)-Hexahydro-2-oxo-5-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-cyclopenta[b]furan-4-carboxaldehyde
CID 11107879
((3aR,4S,5R,6aS)-5-Acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl acetate
CID 363762
[(3aR,4S,5R,6aS)-4-(methoxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 11183771
Methyl 4,4-dimethyl-3,5,8-trioxatricyclo[5.2.1.02,6]decane-9-carboxylate
CID 23563740
(3aR,4S,5R,6aS)-Hexahydro-5-methoxy-4-(methoxymethyl)-2H-cyclopentafuran-2-one
CID 25020818
(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-5-((tetrahydro-2H-pyran-2-yl)oxy)hexahydro-2H-cyclopenta[b]furan-2-one
CID 12770849
4-((Acetyloxy)methyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl acetate
CID 494700
Furo[3',2'-3,4]cyclopenta[1,2-d][1,3]-dioxin-6-one, perhydro-2-methyl-
CID 543124
(3aS,4R,5S,6aR)-5-(Acetyloxy)-4-((acetyloxy)methyl)hexahydro-2H-cyclopenta(b)furan-2-one
CID 58620334
(3aR,4R,5R,6aS)-4-[3-(Ethyleneketal)decanyl]hexahydro-5-hydroxy-2H-cyclopenta[b]furan-2-one
CID 15003068
(3aR,4R,5R,6aS)-4-(dimethoxymethyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 135078571
(3As,4s,6ar)-4-(methoxymethoxy)hexahydro-1h-cyclopenta[c]furan-1-one
CID 172645651

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 22085168) is 4-(1,3-dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is COC1CC2OC(=O)CC2C1C1OCCO1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is NLFRMRTYEUIERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-13-8-5-7-6(4-9(12)16-7)10(8)11-14-2-3-15-11/h6-8,10-11H,2-5H2,1H3.
What are the key properties of 4-(1,3-dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
4-(1,3-dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 228.24 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 22085168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).