6-(3-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane

C11H21NO5Si — CID 87093085

IUPAC6-(3-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane
SMILESCOC1(CCCN=C=O)CCC[Si](OC)(OC)O1
InChIInChI=1S/C11H21NO5Si/c1-14-11(6-4-8-12-10-13)7-5-9-18(15-2,16-3)17-11/h4-9H2,1-3H3
InChIKeyMARKOZABTOXNJE-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.49
Rot. Bonds7

About 6-(3-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane

6-(3-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane (PubChem CID 87093085) has the molecular formula C11H21NO5Si and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-(3-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane.

Molecular Properties

Compound Name6-(3-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane
PubChem CID87093085
Molecular FormulaC11H21NO5Si
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name6-(3-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane
SMILESCOC1(CCCN=C=O)CCC[Si](OC)(OC)O1
InChIInChI=1S/C11H21NO5Si/c1-14-11(6-4-8-12-10-13)7-5-9-18(15-2,16-3)17-11/h4-9H2,1-3H3
InChIKeyMARKOZABTOXNJE-UHFFFAOYSA-N
XLogP1.49
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
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': '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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Frequently Asked Questions

What is the IUPAC name of 6-(3-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane?
The IUPAC name of 6-(3-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane (CID 87093085) is 6-(3-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane.
What is the SMILES notation for 6-(3-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane?
The canonical SMILES for 6-(3-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane is COC1(CCCN=C=O)CCC[Si](OC)(OC)O1.
What is the InChIKey of 6-(3-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane?
The InChIKey is MARKOZABTOXNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5Si/c1-14-11(6-4-8-12-10-13)7-5-9-18(15-2,16-3)17-11/h4-9H2,1-3H3.
What are the key properties of 6-(3-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane?
6-(3-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane has a molecular weight of 275.38 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-isocyanatopropyl)-2,2,6-trimethoxyoxasilinane is sourced from PubChem (CID 87093085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).