3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane

C20H48N2O7Si6 — CID 101056715

IUPAC3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
SMILESC[Si](C)(CCCN=C=O)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCN=C=O
InChIInChI=1S/C20H48N2O7Si6/c1-30(2,17-13-15-21-19-23)25-32(5,6)27-34(9,10)29-35(11,12)28-33(7,8)26-31(3,4)18-14-16-22-20-24/h13-18H2,1-12H3
InChIKeyCLFIYCZQNCHZQT-UHFFFAOYSA-N
MW597.13 g/mol
LogP5.74
Rot. Bonds18

About 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane

3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane (PubChem CID 101056715) has the molecular formula C20H48N2O7Si6 and a molecular weight of 597.13 g/mol. Its IUPAC name is 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane.

Molecular Properties

Compound Name3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
PubChem CID101056715
Molecular FormulaC20H48N2O7Si6
Molecular Weight597.13 g/mol
Exact Mass596.21
IUPAC Name3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
SMILESC[Si](C)(CCCN=C=O)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCN=C=O
InChIInChI=1S/C20H48N2O7Si6/c1-30(2,17-13-15-21-19-23)25-32(5,6)27-34(9,10)29-35(11,12)28-33(7,8)26-31(3,4)18-14-16-22-20-24/h13-18H2,1-12H3
InChIKeyCLFIYCZQNCHZQT-UHFFFAOYSA-N
XLogP5.74
TPSA105.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.13
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane with MolForge

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Related Compounds

butyl-[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilane
CID 90222550
3-isocyanatopropyl-methyl-di(propan-2-yloxy)silane
CID 87211201
3-isocyanatopropyl-methyl-bis(prop-1-en-2-yloxy)silane
CID 15606908
2-isocyanatoethyl-dimethyl-silyloxysilane
CID 123530793
2-[3-[[[3-(diaminomethylideneamino)propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]guanidine
CID 147437476
3-[[[[[[3-hydroxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-ol
CID 90989800
3-[[[[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine
CID 18354066
8-isocyanatooctyl-dimethoxy-methylsilane
CID 141485857
N-[4-[3-isocyanatopropyl(dimethyl)silyl]oxybutyl]acetamide
CID 88535347
[diethoxy(3-isocyanatopropyl)silyl] triethyl silicate
CID 87101175
methyl [3-isocyanatopropyl-bis(methoxycarbonyl)silyl]formate
CID 175540024
butyl-(3-isocyanatopropyl)-dimethoxysilane
CID 140798796

Frequently Asked Questions

What is the IUPAC name of 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane?
The IUPAC name of 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane (CID 101056715) is 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane.
What is the SMILES notation for 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane?
The canonical SMILES for 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane is C[Si](C)(CCCN=C=O)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCN=C=O.
What is the InChIKey of 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane?
The InChIKey is CLFIYCZQNCHZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H48N2O7Si6/c1-30(2,17-13-15-21-19-23)25-32(5,6)27-34(9,10)29-35(11,12)28-33(7,8)26-31(3,4)18-14-16-22-20-24/h13-18H2,1-12H3.
What are the key properties of 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane?
3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane has a molecular weight of 597.13 g/mol, XLogP of 5.74, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyanatopropyl-[[[[[3-isocyanatopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 101056715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).