6-(1-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane

C11H21NO5Si — CID 87246800

IUPAC6-(1-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane
SMILESCCC(N=C=O)C1(OC)CCC[Si](OC)(OC)O1
InChIInChI=1S/C11H21NO5Si/c1-5-10(12-9-13)11(14-2)7-6-8-18(15-3,16-4)17-11/h10H,5-8H2,1-4H3
InChIKeySDJBCGPLZQKUOL-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.49
Rot. Bonds6

About 6-(1-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane

6-(1-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane (PubChem CID 87246800) has the molecular formula C11H21NO5Si and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-(1-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane.

Molecular Properties

Compound Name6-(1-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane
PubChem CID87246800
Molecular FormulaC11H21NO5Si
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name6-(1-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane
SMILESCCC(N=C=O)C1(OC)CCC[Si](OC)(OC)O1
InChIInChI=1S/C11H21NO5Si/c1-5-10(12-9-13)11(14-2)7-6-8-18(15-3,16-4)17-11/h10H,5-8H2,1-4H3
InChIKeySDJBCGPLZQKUOL-UHFFFAOYSA-N
XLogP1.49
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

6-(3-Isocyanatopropyl)-2,2,6-trimethoxyoxasilinane
CID 87093085
3-Isocyanato-1,1,2-trimethoxy-2-propylsilinane
CID 174394453
3-Isocyanato-1,1,2-trimethoxy-2-propylsilinane;silane
CID 174527214
2-(1-Isocyanatopropyl)-1,1,2-trimethoxysilinane
CID 174713745
2,2,6-Triethoxy-6-(1-isocyanatopropyl)oxasilinane
CID 175510172

Frequently Asked Questions

What is the IUPAC name of 6-(1-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane?
The IUPAC name of 6-(1-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane (CID 87246800) is 6-(1-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane.
What is the SMILES notation for 6-(1-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane?
The canonical SMILES for 6-(1-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane is CCC(N=C=O)C1(OC)CCC[Si](OC)(OC)O1.
What is the InChIKey of 6-(1-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane?
The InChIKey is SDJBCGPLZQKUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5Si/c1-5-10(12-9-13)11(14-2)7-6-8-18(15-3,16-4)17-11/h10H,5-8H2,1-4H3.
What are the key properties of 6-(1-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane?
6-(1-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane has a molecular weight of 275.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane is sourced from PubChem (CID 87246800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).