3-isocyanatopropyl-bis(2-methoxyethoxy)-phenylsilane

C16H25NO5Si — CID 142701829

IUPAC3-isocyanatopropyl-bis(2-methoxyethoxy)-phenylsilane
SMILESCOCCO[Si](CCCN=C=O)(OCCOC)c1ccccc1
InChIInChI=1S/C16H25NO5Si/c1-19-10-12-21-23(22-13-11-20-2,14-6-9-17-15-18)16-7-4-3-5-8-16/h3-5,7-8H,6,9-14H2,1-2H3
InChIKeyQBHNFLKQSRQYRH-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.39
Rot. Bonds13

About 3-isocyanatopropyl-bis(2-methoxyethoxy)-phenylsilane

3-isocyanatopropyl-bis(2-methoxyethoxy)-phenylsilane (PubChem CID 142701829) has the molecular formula C16H25NO5Si and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-isocyanatopropyl-bis(2-methoxyethoxy)-phenylsilane.

Molecular Properties

Compound Name3-isocyanatopropyl-bis(2-methoxyethoxy)-phenylsilane
PubChem CID142701829
Molecular FormulaC16H25NO5Si
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name3-isocyanatopropyl-bis(2-methoxyethoxy)-phenylsilane
SMILESCOCCO[Si](CCCN=C=O)(OCCOC)c1ccccc1
InChIInChI=1S/C16H25NO5Si/c1-19-10-12-21-23(22-13-11-20-2,14-6-9-17-15-18)16-7-4-3-5-8-16/h3-5,7-8H,6,9-14H2,1-2H3
InChIKeyQBHNFLKQSRQYRH-UHFFFAOYSA-N
XLogP1.39
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

3-methoxy-N-[3-[phenyl(dipropoxy)silyl]propyl]propan-1-amine
CID 142737698
triethoxy(3-isocyanatopropyl)silane;N-(3-trimethoxysilylpropyl)aniline
CID 159457965
10-isocyanatodecoxybenzene
CID 18431201
isocyanatomethyl-phenyl-di(propan-2-yloxy)silane
CID 142701813
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
2-methoxyethyl-dimethyl-phenylsilane
CID 123175505
3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012652
4-[3-isocyanatopropyl(dimethoxy)silyl]oxybutane-1-thiol
CID 150585258
1,1'-biphenyl;1,3-diisocyanatopropane;ethane-1,2-diol;ethoxyethane
CID 173086229
3-[dibutoxy(phenyl)silyl]propyl but-2-enoate
CID 67842940
butyl-dimethoxy-phenylsilane
CID 66773516
10-isocyanato-1-phenyldecan-1-ol
CID 155127886

Frequently Asked Questions

What is the IUPAC name of 3-isocyanatopropyl-bis(2-methoxyethoxy)-phenylsilane?
The IUPAC name of 3-isocyanatopropyl-bis(2-methoxyethoxy)-phenylsilane (CID 142701829) is 3-isocyanatopropyl-bis(2-methoxyethoxy)-phenylsilane.
What is the SMILES notation for 3-isocyanatopropyl-bis(2-methoxyethoxy)-phenylsilane?
The canonical SMILES for 3-isocyanatopropyl-bis(2-methoxyethoxy)-phenylsilane is COCCO[Si](CCCN=C=O)(OCCOC)c1ccccc1.
What is the InChIKey of 3-isocyanatopropyl-bis(2-methoxyethoxy)-phenylsilane?
The InChIKey is QBHNFLKQSRQYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5Si/c1-19-10-12-21-23(22-13-11-20-2,14-6-9-17-15-18)16-7-4-3-5-8-16/h3-5,7-8H,6,9-14H2,1-2H3.
What are the key properties of 3-isocyanatopropyl-bis(2-methoxyethoxy)-phenylsilane?
3-isocyanatopropyl-bis(2-methoxyethoxy)-phenylsilane has a molecular weight of 339.46 g/mol, XLogP of 1.39, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyanatopropyl-bis(2-methoxyethoxy)-phenylsilane is sourced from PubChem (CID 142701829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).