trimethoxy-[4-[1-methoxy-7-methyl-10-(4-trimethoxysilylbutyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl]butyl]silane

C22H49NO10Si3 — CID 18730823

IUPACtrimethoxy-[4-[1-methoxy-7-methyl-10-(4-trimethoxysilylbutyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl]butyl]silane
SMILESCO[Si](CCCCC1CN2CC(C)O[Si](OC)(O1)OC(CCCC[Si](OC)(OC)OC)C2)(OC)OC
InChIInChI=1S/C22H49NO10Si3/c1-20-17-23-18-21(13-9-11-15-34(24-2,25-3)26-4)32-36(30-8,31-20)33-22(19-23)14-10-12-16-35(27-5,28-6)29-7/h20-22H,9-19H2,1-8H3
InChIKeyWRTLVBVIECIHGQ-UHFFFAOYSA-N
MW571.89 g/mol
LogP2.67
Rot. Bonds17

About trimethoxy-[4-[1-methoxy-7-methyl-10-(4-trimethoxysilylbutyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl]butyl]silane

trimethoxy-[4-[1-methoxy-7-methyl-10-(4-trimethoxysilylbutyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl]butyl]silane (PubChem CID 18730823) has the molecular formula C22H49NO10Si3 and a molecular weight of 571.89 g/mol. Its IUPAC name is trimethoxy-[4-[1-methoxy-7-methyl-10-(4-trimethoxysilylbutyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl]butyl]silane.

Molecular Properties

Compound Nametrimethoxy-[4-[1-methoxy-7-methyl-10-(4-trimethoxysilylbutyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl]butyl]silane
PubChem CID18730823
Molecular FormulaC22H49NO10Si3
Molecular Weight571.89 g/mol
Exact Mass571.27
IUPAC Nametrimethoxy-[4-[1-methoxy-7-methyl-10-(4-trimethoxysilylbutyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl]butyl]silane
SMILESCO[Si](CCCCC1CN2CC(C)O[Si](OC)(O1)OC(CCCC[Si](OC)(OC)OC)C2)(OC)OC
InChIInChI=1S/C22H49NO10Si3/c1-20-17-23-18-21(13-9-11-15-34(24-2,25-3)26-4)32-36(30-8,31-20)33-22(19-23)14-10-12-16-35(27-5,28-6)29-7/h20-22H,9-19H2,1-8H3
InChIKeyWRTLVBVIECIHGQ-UHFFFAOYSA-N
XLogP2.67
TPSA95.54 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.89
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-[4-[1-methoxy-7-methyl-10-(4-trimethoxysilylbutyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl]butyl]silane?
The IUPAC name of trimethoxy-[4-[1-methoxy-7-methyl-10-(4-trimethoxysilylbutyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl]butyl]silane (CID 18730823) is trimethoxy-[4-[1-methoxy-7-methyl-10-(4-trimethoxysilylbutyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl]butyl]silane.
What is the SMILES notation for trimethoxy-[4-[1-methoxy-7-methyl-10-(4-trimethoxysilylbutyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl]butyl]silane?
The canonical SMILES for trimethoxy-[4-[1-methoxy-7-methyl-10-(4-trimethoxysilylbutyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl]butyl]silane is CO[Si](CCCCC1CN2CC(C)O[Si](OC)(O1)OC(CCCC[Si](OC)(OC)OC)C2)(OC)OC.
What is the InChIKey of trimethoxy-[4-[1-methoxy-7-methyl-10-(4-trimethoxysilylbutyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl]butyl]silane?
The InChIKey is WRTLVBVIECIHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49NO10Si3/c1-20-17-23-18-21(13-9-11-15-34(24-2,25-3)26-4)32-36(30-8,31-20)33-22(19-23)14-10-12-16-35(27-5,28-6)29-7/h20-22H,9-19H2,1-8H3.
What are the key properties of trimethoxy-[4-[1-methoxy-7-methyl-10-(4-trimethoxysilylbutyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl]butyl]silane?
trimethoxy-[4-[1-methoxy-7-methyl-10-(4-trimethoxysilylbutyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl]butyl]silane has a molecular weight of 571.89 g/mol, XLogP of 2.67, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[4-[1-methoxy-7-methyl-10-(4-trimethoxysilylbutyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-3-yl]butyl]silane is sourced from PubChem (CID 18730823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).