methyl [[[bis(methoxycarbonyl)-methylsilyl]oxy-dimethylsilyl]oxy-methoxycarbonyl-methylsilyl]formate

C12H24O10Si3 — CID 59184947

IUPACmethyl [[[bis(methoxycarbonyl)-methylsilyl]oxy-dimethylsilyl]oxy-methoxycarbonyl-methylsilyl]formate
SMILESCOC(=O)[Si](C)(O[Si](C)(C)O[Si](C)(C(=O)OC)C(=O)OC)C(=O)OC
InChIInChI=1S/C12H24O10Si3/c1-17-9(13)24(7,10(14)18-2)21-23(5,6)22-25(8,11(15)19-3)12(16)20-4/h1-8H3
InChIKeyIHMUITFJWGMZHM-UHFFFAOYSA-N
MW412.57 g/mol
LogP2.26
Rot. Bonds8

About methyl [[[bis(methoxycarbonyl)-methylsilyl]oxy-dimethylsilyl]oxy-methoxycarbonyl-methylsilyl]formate

methyl [[[bis(methoxycarbonyl)-methylsilyl]oxy-dimethylsilyl]oxy-methoxycarbonyl-methylsilyl]formate (PubChem CID 59184947) has the molecular formula C12H24O10Si3 and a molecular weight of 412.57 g/mol. Its IUPAC name is methyl [[[bis(methoxycarbonyl)-methylsilyl]oxy-dimethylsilyl]oxy-methoxycarbonyl-methylsilyl]formate.

Molecular Properties

Compound Namemethyl [[[bis(methoxycarbonyl)-methylsilyl]oxy-dimethylsilyl]oxy-methoxycarbonyl-methylsilyl]formate
PubChem CID59184947
Molecular FormulaC12H24O10Si3
Molecular Weight412.57 g/mol
Exact Mass412.07
IUPAC Namemethyl [[[bis(methoxycarbonyl)-methylsilyl]oxy-dimethylsilyl]oxy-methoxycarbonyl-methylsilyl]formate
SMILESCOC(=O)[Si](C)(O[Si](C)(C)O[Si](C)(C(=O)OC)C(=O)OC)C(=O)OC
InChIInChI=1S/C12H24O10Si3/c1-17-9(13)24(7,10(14)18-2)21-23(5,6)22-25(8,11(15)19-3)12(16)20-4/h1-8H3
InChIKeyIHMUITFJWGMZHM-UHFFFAOYSA-N
XLogP2.26
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 [[[bis(methoxycarbonyl)-methylsilyl]oxy-dimethylsilyl]oxy-methoxycarbonyl-methylsilyl]formate?
The IUPAC name of methyl [[[bis(methoxycarbonyl)-methylsilyl]oxy-dimethylsilyl]oxy-methoxycarbonyl-methylsilyl]formate (CID 59184947) is methyl [[[bis(methoxycarbonyl)-methylsilyl]oxy-dimethylsilyl]oxy-methoxycarbonyl-methylsilyl]formate.
What is the SMILES notation for methyl [[[bis(methoxycarbonyl)-methylsilyl]oxy-dimethylsilyl]oxy-methoxycarbonyl-methylsilyl]formate?
The canonical SMILES for methyl [[[bis(methoxycarbonyl)-methylsilyl]oxy-dimethylsilyl]oxy-methoxycarbonyl-methylsilyl]formate is COC(=O)[Si](C)(O[Si](C)(C)O[Si](C)(C(=O)OC)C(=O)OC)C(=O)OC.
What is the InChIKey of methyl [[[bis(methoxycarbonyl)-methylsilyl]oxy-dimethylsilyl]oxy-methoxycarbonyl-methylsilyl]formate?
The InChIKey is IHMUITFJWGMZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O10Si3/c1-17-9(13)24(7,10(14)18-2)21-23(5,6)22-25(8,11(15)19-3)12(16)20-4/h1-8H3.
What are the key properties of methyl [[[bis(methoxycarbonyl)-methylsilyl]oxy-dimethylsilyl]oxy-methoxycarbonyl-methylsilyl]formate?
methyl [[[bis(methoxycarbonyl)-methylsilyl]oxy-dimethylsilyl]oxy-methoxycarbonyl-methylsilyl]formate has a molecular weight of 412.57 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [[[bis(methoxycarbonyl)-methylsilyl]oxy-dimethylsilyl]oxy-methoxycarbonyl-methylsilyl]formate is sourced from PubChem (CID 59184947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).