methyl 3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentane-1-carboxylate

C15H26O7Si — CID 53439513

IUPACmethyl 3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1C(OC(C)=O)CC(OC(C)=O)C1CO[Si](C)(C)C
InChIInChI=1S/C15H26O7Si/c1-9(16)21-12-7-13(22-10(2)17)14(15(18)19-3)11(12)8-20-23(4,5)6/h11-14H,7-8H2,1-6H3
InChIKeyGDQKMZMYSLXQQH-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.51
Rot. Bonds6

About methyl 3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentane-1-carboxylate

methyl 3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentane-1-carboxylate (PubChem CID 53439513) has the molecular formula C15H26O7Si and a molecular weight of 346.45 g/mol. Its IUPAC name is methyl 3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentane-1-carboxylate
PubChem CID53439513
Molecular FormulaC15H26O7Si
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Namemethyl 3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1C(OC(C)=O)CC(OC(C)=O)C1CO[Si](C)(C)C
InChIInChI=1S/C15H26O7Si/c1-9(16)21-12-7-13(22-10(2)17)14(15(18)19-3)11(12)8-20-23(4,5)6/h11-14H,7-8H2,1-6H3
InChIKeyGDQKMZMYSLXQQH-UHFFFAOYSA-N
XLogP1.51
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentane-1-carboxylate (CID 53439513) is methyl 3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentane-1-carboxylate is COC(=O)C1C(OC(C)=O)CC(OC(C)=O)C1CO[Si](C)(C)C.
What is the InChIKey of methyl 3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentane-1-carboxylate?
The InChIKey is GDQKMZMYSLXQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O7Si/c1-9(16)21-12-7-13(22-10(2)17)14(15(18)19-3)11(12)8-20-23(4,5)6/h11-14H,7-8H2,1-6H3.
What are the key properties of methyl 3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentane-1-carboxylate?
methyl 3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentane-1-carboxylate has a molecular weight of 346.45 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 53439513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).