1,5,5-trimethoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

C10H16O5 — CID 566262

IUPAC1,5,5-trimethoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESCOC1OC(=O)C2CC(OC)(OC)CC12
InChIInChI=1S/C10H16O5/c1-12-9-7-5-10(13-2,14-3)4-6(7)8(11)15-9/h6-7,9H,4-5H2,1-3H3
InChIKeyXFMFBOIYELUVER-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.53
Rot. Bonds3

About 1,5,5-trimethoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

1,5,5-trimethoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (PubChem CID 566262) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1,5,5-trimethoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.

Molecular Properties

Compound Name1,5,5-trimethoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
PubChem CID566262
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name1,5,5-trimethoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESCOC1OC(=O)C2CC(OC)(OC)CC12
InChIInChI=1S/C10H16O5/c1-12-9-7-5-10(13-2,14-3)4-6(7)8(11)15-9/h6-7,9H,4-5H2,1-3H3
InChIKeyXFMFBOIYELUVER-UHFFFAOYSA-N
XLogP0.53
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

((3aR,4S,5R,6aS)-5-Acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl acetate
CID 363762
methyl 2-[(3aR,4S,6aS)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetate
CID 11030779
[(3aR,4S,5R,6aS)-4-(methoxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 11183771
(3aR,4S,5R,6aS)-Hexahydro-5-methoxy-4-(methoxymethyl)-2H-cyclopentafuran-2-one
CID 25020818
(2R,3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 10587987
(3aS,6aR)-2-hexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 10822437
(3aS,6aR)-2-decyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 76312389
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
methyl 2-[(2S,3aR,4S,6aS)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]acetate
CID 14293109
(3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 15933477

Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The IUPAC name of 1,5,5-trimethoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (CID 566262) is 1,5,5-trimethoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.
What is the SMILES notation for 1,5,5-trimethoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The canonical SMILES for 1,5,5-trimethoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is COC1OC(=O)C2CC(OC)(OC)CC12.
What is the InChIKey of 1,5,5-trimethoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The InChIKey is XFMFBOIYELUVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-12-9-7-5-10(13-2,14-3)4-6(7)8(11)15-9/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 1,5,5-trimethoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
1,5,5-trimethoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one has a molecular weight of 216.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is sourced from PubChem (CID 566262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).