dioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate

C14H22O8Si2 — CID 157094807

IUPACdioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate
SMILESCOC(=O)c1ccc(OCCC[Si](OC)(OC)OC)cc1.O=[Si]=O
InChIInChI=1S/C14H22O6Si.O2Si/c1-16-14(15)12-6-8-13(9-7-12)20-10-5-11-21(17-2,18-3)19-4;1-3-2/h6-9H,5,10-11H2,1-4H3;
InChIKeyAFBUGELJXQWNIP-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.50
Rot. Bonds9

About dioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate

dioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate (PubChem CID 157094807) has the molecular formula C14H22O8Si2 and a molecular weight of 374.49 g/mol. Its IUPAC name is dioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate.

Molecular Properties

Compound Namedioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate
PubChem CID157094807
Molecular FormulaC14H22O8Si2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Namedioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate
SMILESCOC(=O)c1ccc(OCCC[Si](OC)(OC)OC)cc1.O=[Si]=O
InChIInChI=1S/C14H22O6Si.O2Si/c1-16-14(15)12-6-8-13(9-7-12)20-10-5-11-21(17-2,18-3)19-4;1-3-2/h6-9H,5,10-11H2,1-4H3;
InChIKeyAFBUGELJXQWNIP-UHFFFAOYSA-N
XLogP1.50
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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CID 67943009
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CID 3104610
methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate
CID 16614189
methyl 4-(4-propanoyloxybutoxy)benzoate
CID 58898433
methyl 4-[12-[12-(4-methoxycarbonylphenoxy)dodecyldisulfanyl]dodecoxy]benzoate
CID 102033956
methyl 4-[2-(fluoroamino)ethoxy]benzoate
CID 143872134
methyl 4-[3-(diethylamino)propoxy]benzoate
CID 18508138
methyl 4-[4-(8-bromooctoxy)phenyl]benzoate
CID 21182253
(4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate
CID 100957753
methyl 4-(2-propanoyloxyethoxy)benzoate
CID 59386419

Frequently Asked Questions

What is the IUPAC name of dioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate?
The IUPAC name of dioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate (CID 157094807) is dioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate.
What is the SMILES notation for dioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate?
The canonical SMILES for dioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate is COC(=O)c1ccc(OCCC[Si](OC)(OC)OC)cc1.O=[Si]=O.
What is the InChIKey of dioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate?
The InChIKey is AFBUGELJXQWNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6Si.O2Si/c1-16-14(15)12-6-8-13(9-7-12)20-10-5-11-21(17-2,18-3)19-4;1-3-2/h6-9H,5,10-11H2,1-4H3;.
What are the key properties of dioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate?
dioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate has a molecular weight of 374.49 g/mol, XLogP of 1.50, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate is sourced from PubChem (CID 157094807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).