5-(methoxymethoxy)-1-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

C10H16O4 — CID 89018904

IUPAC5-(methoxymethoxy)-1-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESCOCOC1CC2C(=O)OC(C)C2C1
InChIInChI=1S/C10H16O4/c1-6-8-3-7(13-5-12-2)4-9(8)10(11)14-6/h6-9H,3-5H2,1-2H3
InChIKeyUCJHPSXNHNFGII-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.95
Rot. Bonds3

About 5-(methoxymethoxy)-1-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

5-(methoxymethoxy)-1-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (PubChem CID 89018904) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 5-(methoxymethoxy)-1-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name5-(methoxymethoxy)-1-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
PubChem CID89018904
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name5-(methoxymethoxy)-1-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESCOCOC1CC2C(=O)OC(C)C2C1
InChIInChI=1S/C10H16O4/c1-6-8-3-7(13-5-12-2)4-9(8)10(11)14-6/h6-9H,3-5H2,1-2H3
InChIKeyUCJHPSXNHNFGII-UHFFFAOYSA-N
XLogP0.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethoxy)-1-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The IUPAC name of 5-(methoxymethoxy)-1-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (CID 89018904) is 5-(methoxymethoxy)-1-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 5-(methoxymethoxy)-1-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 5-(methoxymethoxy)-1-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is COCOC1CC2C(=O)OC(C)C2C1.
What is the InChIKey of 5-(methoxymethoxy)-1-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The InChIKey is UCJHPSXNHNFGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-6-8-3-7(13-5-12-2)4-9(8)10(11)14-6/h6-9H,3-5H2,1-2H3.
What are the key properties of 5-(methoxymethoxy)-1-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
5-(methoxymethoxy)-1-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one has a molecular weight of 200.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethoxy)-1-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 89018904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).