7-(methoxymethoxy)-1a-methyl-1,3a,7a,7b-tetrahydrocyclopropa[c]chromen-2-one

C13H16O4 — CID 130446694

IUPAC7-(methoxymethoxy)-1a-methyl-1,3a,7a,7b-tetrahydrocyclopropa[c]chromen-2-one
SMILESCOCOC1=CC=CC2OC(=O)C3(C)CC3C12
InChIInChI=1S/C13H16O4/c1-13-6-8(13)11-9(16-7-15-2)4-3-5-10(11)17-12(13)14/h3-5,8,10-11H,6-7H2,1-2H3
InChIKeyQUDGIEHGKCMRMO-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.63
Rot. Bonds3

About 7-(methoxymethoxy)-1a-methyl-1,3a,7a,7b-tetrahydrocyclopropa[c]chromen-2-one

7-(methoxymethoxy)-1a-methyl-1,3a,7a,7b-tetrahydrocyclopropa[c]chromen-2-one (PubChem CID 130446694) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 7-(methoxymethoxy)-1a-methyl-1,3a,7a,7b-tetrahydrocyclopropa[c]chromen-2-one.

Molecular Properties

Compound Name7-(methoxymethoxy)-1a-methyl-1,3a,7a,7b-tetrahydrocyclopropa[c]chromen-2-one
PubChem CID130446694
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name7-(methoxymethoxy)-1a-methyl-1,3a,7a,7b-tetrahydrocyclopropa[c]chromen-2-one
SMILESCOCOC1=CC=CC2OC(=O)C3(C)CC3C12
InChIInChI=1S/C13H16O4/c1-13-6-8(13)11-9(16-7-15-2)4-3-5-10(11)17-12(13)14/h3-5,8,10-11H,6-7H2,1-2H3
InChIKeyQUDGIEHGKCMRMO-UHFFFAOYSA-N
XLogP1.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.63
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 7-(methoxymethoxy)-1a-methyl-1,3a,7a,7b-tetrahydrocyclopropa[c]chromen-2-one?
The IUPAC name of 7-(methoxymethoxy)-1a-methyl-1,3a,7a,7b-tetrahydrocyclopropa[c]chromen-2-one (CID 130446694) is 7-(methoxymethoxy)-1a-methyl-1,3a,7a,7b-tetrahydrocyclopropa[c]chromen-2-one.
What is the SMILES notation for 7-(methoxymethoxy)-1a-methyl-1,3a,7a,7b-tetrahydrocyclopropa[c]chromen-2-one?
The canonical SMILES for 7-(methoxymethoxy)-1a-methyl-1,3a,7a,7b-tetrahydrocyclopropa[c]chromen-2-one is COCOC1=CC=CC2OC(=O)C3(C)CC3C12.
What is the InChIKey of 7-(methoxymethoxy)-1a-methyl-1,3a,7a,7b-tetrahydrocyclopropa[c]chromen-2-one?
The InChIKey is QUDGIEHGKCMRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-13-6-8(13)11-9(16-7-15-2)4-3-5-10(11)17-12(13)14/h3-5,8,10-11H,6-7H2,1-2H3.
What are the key properties of 7-(methoxymethoxy)-1a-methyl-1,3a,7a,7b-tetrahydrocyclopropa[c]chromen-2-one?
7-(methoxymethoxy)-1a-methyl-1,3a,7a,7b-tetrahydrocyclopropa[c]chromen-2-one has a molecular weight of 236.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethoxy)-1a-methyl-1,3a,7a,7b-tetrahydrocyclopropa[c]chromen-2-one is sourced from PubChem (CID 130446694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).