diethoxy-(1-isocyanato-4-methylpentyl)silane

C11H23NO3Si — CID 173033174

IUPACdiethoxy-(1-isocyanato-4-methylpentyl)silane
SMILESCCO[SiH](OCC)C(CCC(C)C)N=C=O
InChIInChI=1S/C11H23NO3Si/c1-5-14-16(15-6-2)11(12-9-13)8-7-10(3)4/h10-11,16H,5-8H2,1-4H3
InChIKeyOKWXQOBKYITWLS-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.96
Rot. Bonds9

About diethoxy-(1-isocyanato-4-methylpentyl)silane

diethoxy-(1-isocyanato-4-methylpentyl)silane (PubChem CID 173033174) has the molecular formula C11H23NO3Si and a molecular weight of 245.39 g/mol. Its IUPAC name is diethoxy-(1-isocyanato-4-methylpentyl)silane.

Molecular Properties

Compound Namediethoxy-(1-isocyanato-4-methylpentyl)silane
PubChem CID173033174
Molecular FormulaC11H23NO3Si
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Namediethoxy-(1-isocyanato-4-methylpentyl)silane
SMILESCCO[SiH](OCC)C(CCC(C)C)N=C=O
InChIInChI=1S/C11H23NO3Si/c1-5-14-16(15-6-2)11(12-9-13)8-7-10(3)4/h10-11,16H,5-8H2,1-4H3
InChIKeyOKWXQOBKYITWLS-UHFFFAOYSA-N
XLogP1.96
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of diethoxy-(1-isocyanato-4-methylpentyl)silane?
The IUPAC name of diethoxy-(1-isocyanato-4-methylpentyl)silane (CID 173033174) is diethoxy-(1-isocyanato-4-methylpentyl)silane.
What is the SMILES notation for diethoxy-(1-isocyanato-4-methylpentyl)silane?
The canonical SMILES for diethoxy-(1-isocyanato-4-methylpentyl)silane is CCO[SiH](OCC)C(CCC(C)C)N=C=O.
What is the InChIKey of diethoxy-(1-isocyanato-4-methylpentyl)silane?
The InChIKey is OKWXQOBKYITWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3Si/c1-5-14-16(15-6-2)11(12-9-13)8-7-10(3)4/h10-11,16H,5-8H2,1-4H3.
What are the key properties of diethoxy-(1-isocyanato-4-methylpentyl)silane?
diethoxy-(1-isocyanato-4-methylpentyl)silane has a molecular weight of 245.39 g/mol, XLogP of 1.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(1-isocyanato-4-methylpentyl)silane is sourced from PubChem (CID 173033174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).