[1,1,2-trimethoxy-2-[4-(1,2,2-trimethoxy-2-silylethyl)phenyl]ethyl]silane

C16H30O6Si2 — CID 123794936

IUPAC[1,1,2-trimethoxy-2-[4-(1,2,2-trimethoxy-2-silylethyl)phenyl]ethyl]silane
SMILESCOC(c1ccc(C(OC)C([SiH3])(OC)OC)cc1)C([SiH3])(OC)OC
InChIInChI=1S/C16H30O6Si2/c1-17-13(15(23,19-3)20-4)11-7-9-12(10-8-11)14(18-2)16(24,21-5)22-6/h7-10,13-14H,1-6,23-24H3
InChIKeyRAVTWIIKTKRLKU-UHFFFAOYSA-N
MW374.58 g/mol
LogP-0.31
Rot. Bonds10

About [1,1,2-trimethoxy-2-[4-(1,2,2-trimethoxy-2-silylethyl)phenyl]ethyl]silane

[1,1,2-trimethoxy-2-[4-(1,2,2-trimethoxy-2-silylethyl)phenyl]ethyl]silane (PubChem CID 123794936) has the molecular formula C16H30O6Si2 and a molecular weight of 374.58 g/mol. Its IUPAC name is [1,1,2-trimethoxy-2-[4-(1,2,2-trimethoxy-2-silylethyl)phenyl]ethyl]silane.

Molecular Properties

Compound Name[1,1,2-trimethoxy-2-[4-(1,2,2-trimethoxy-2-silylethyl)phenyl]ethyl]silane
PubChem CID123794936
Molecular FormulaC16H30O6Si2
Molecular Weight374.58 g/mol
Exact Mass374.16
IUPAC Name[1,1,2-trimethoxy-2-[4-(1,2,2-trimethoxy-2-silylethyl)phenyl]ethyl]silane
SMILESCOC(c1ccc(C(OC)C([SiH3])(OC)OC)cc1)C([SiH3])(OC)OC
InChIInChI=1S/C16H30O6Si2/c1-17-13(15(23,19-3)20-4)11-7-9-12(10-8-11)14(18-2)16(24,21-5)22-6/h7-10,13-14H,1-6,23-24H3
InChIKeyRAVTWIIKTKRLKU-UHFFFAOYSA-N
XLogP-0.31
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.58
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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2-methyl-5-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyridine
CID 58450344
(3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol
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3-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]propan-1-amine
CID 84737494
4-methoxy-3,3-dimethyl-4-phenylbutan-2-one
CID 10420523
1-tert-butyl-4-(dimethoxymethyl)benzene
CID 11085047
3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
CID 100923277
1-tert-butyl-4-(1-methoxyethyl)benzene
CID 15498380
tert-butyl (2S,3S)-2-bromo-3-methoxy-2-methyl-3-phenylpropanoate
CID 10664094
N-(3-hydroxysulfanylpropyl)-1-methoxy-2-methyl-1-(4-methylphenyl)propan-2-amine
CID 142978308

Frequently Asked Questions

What is the IUPAC name of [1,1,2-trimethoxy-2-[4-(1,2,2-trimethoxy-2-silylethyl)phenyl]ethyl]silane?
The IUPAC name of [1,1,2-trimethoxy-2-[4-(1,2,2-trimethoxy-2-silylethyl)phenyl]ethyl]silane (CID 123794936) is [1,1,2-trimethoxy-2-[4-(1,2,2-trimethoxy-2-silylethyl)phenyl]ethyl]silane.
What is the SMILES notation for [1,1,2-trimethoxy-2-[4-(1,2,2-trimethoxy-2-silylethyl)phenyl]ethyl]silane?
The canonical SMILES for [1,1,2-trimethoxy-2-[4-(1,2,2-trimethoxy-2-silylethyl)phenyl]ethyl]silane is COC(c1ccc(C(OC)C([SiH3])(OC)OC)cc1)C([SiH3])(OC)OC.
What is the InChIKey of [1,1,2-trimethoxy-2-[4-(1,2,2-trimethoxy-2-silylethyl)phenyl]ethyl]silane?
The InChIKey is RAVTWIIKTKRLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O6Si2/c1-17-13(15(23,19-3)20-4)11-7-9-12(10-8-11)14(18-2)16(24,21-5)22-6/h7-10,13-14H,1-6,23-24H3.
What are the key properties of [1,1,2-trimethoxy-2-[4-(1,2,2-trimethoxy-2-silylethyl)phenyl]ethyl]silane?
[1,1,2-trimethoxy-2-[4-(1,2,2-trimethoxy-2-silylethyl)phenyl]ethyl]silane has a molecular weight of 374.58 g/mol, XLogP of -0.31, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2-trimethoxy-2-[4-(1,2,2-trimethoxy-2-silylethyl)phenyl]ethyl]silane is sourced from PubChem (CID 123794936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).