methoxymethyl 5-oxo-2-propanoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

C14H18O7 — CID 147501278

IUPACmethoxymethyl 5-oxo-2-propanoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESCCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OCOC
InChIInChI=1S/C14H18O7/c1-3-8(15)20-11-6-4-7-10(14(17)21-12(7)11)9(6)13(16)19-5-18-2/h6-7,9-12H,3-5H2,1-2H3
InChIKeyFHLUDLSTSDOHHC-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.26
Rot. Bonds5

About methoxymethyl 5-oxo-2-propanoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

methoxymethyl 5-oxo-2-propanoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate (PubChem CID 147501278) has the molecular formula C14H18O7 and a molecular weight of 298.29 g/mol. Its IUPAC name is methoxymethyl 5-oxo-2-propanoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate.

Molecular Properties

Compound Namemethoxymethyl 5-oxo-2-propanoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
PubChem CID147501278
Molecular FormulaC14H18O7
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Namemethoxymethyl 5-oxo-2-propanoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESCCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OCOC
InChIInChI=1S/C14H18O7/c1-3-8(15)20-11-6-4-7-10(14(17)21-12(7)11)9(6)13(16)19-5-18-2/h6-7,9-12H,3-5H2,1-2H3
InChIKeyFHLUDLSTSDOHHC-UHFFFAOYSA-N
XLogP0.26
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethyl 5-oxo-2-propanoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The IUPAC name of methoxymethyl 5-oxo-2-propanoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate (CID 147501278) is methoxymethyl 5-oxo-2-propanoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate.
What is the SMILES notation for methoxymethyl 5-oxo-2-propanoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The canonical SMILES for methoxymethyl 5-oxo-2-propanoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate is CCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OCOC.
What is the InChIKey of methoxymethyl 5-oxo-2-propanoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The InChIKey is FHLUDLSTSDOHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O7/c1-3-8(15)20-11-6-4-7-10(14(17)21-12(7)11)9(6)13(16)19-5-18-2/h6-7,9-12H,3-5H2,1-2H3.
What are the key properties of methoxymethyl 5-oxo-2-propanoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
methoxymethyl 5-oxo-2-propanoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate has a molecular weight of 298.29 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 5-oxo-2-propanoyloxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate is sourced from PubChem (CID 147501278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).