CID 165175679

C10H17NO3Si — CID 165175679

IUPAC—
SMILESCCOC(C[Si]C=CCN=C=O)OCC
InChIInChI=1S/C10H17NO3Si/c1-3-13-10(14-4-2)8-15-7-5-6-11-9-12/h5,7,10H,3-4,6,8H2,1-2H3
InChIKeyAAHRVEMJKURQQZ-UHFFFAOYSA-N
MW227.34 g/mol
LogP1.36
Rot. Bonds9

About CID 165175679

CID 165175679 (PubChem CID 165175679) has the molecular formula C10H17NO3Si and a molecular weight of 227.34 g/mol.

Molecular Properties

Compound NameCID 165175679
PubChem CID165175679
Molecular FormulaC10H17NO3Si
Molecular Weight227.34 g/mol
Exact Mass227.10
IUPAC Name—
SMILESCCOC(C[Si]C=CCN=C=O)OCC
InChIInChI=1S/C10H17NO3Si/c1-3-13-10(14-4-2)8-15-7-5-6-11-9-12/h5,7,10H,3-4,6,8H2,1-2H3
InChIKeyAAHRVEMJKURQQZ-UHFFFAOYSA-N
XLogP1.36
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

2,2-diethoxyethyl(3-isocyanatoprop-1-enyl)silane
CID 172747799
(Z)-1-isocyanatobut-2-ene
CID 117268005
(Z)-1-isocyanato-4-methoxybut-2-ene
CID 117268152
1-chloro-3-isocyanatoprop-1-ene
CID 151240054
diethoxymethyl(isocyanatomethyl)silane;silane
CID 174823634
diethoxymethyl(2-isocyanatoethyl)silane
CID 154128552
N'-(2,2-diethoxyethyl)methanediimine
CID 10749464
(1-ethoxy-3-isocyanatopropyl)-dimethylsilane
CID 154163836
CID 57451317
CID 57451317
2-(2,2-diethoxyethoxy)-2-methylpropane
CID 63628405
1,1-diethoxy-4,4-dimethylpentan-3-one
CID 13112448
2-[(Z)-3-isocyanatoprop-1-enyl]-1-propan-2-ylpiperidine
CID 117267603

Frequently Asked Questions

What is the IUPAC name of CID 165175679?
The IUPAC name of CID 165175679 (CID 165175679) is not available.
What is the SMILES notation for CID 165175679?
The canonical SMILES for CID 165175679 is CCOC(C[Si]C=CCN=C=O)OCC.
What is the InChIKey of CID 165175679?
The InChIKey is AAHRVEMJKURQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3Si/c1-3-13-10(14-4-2)8-15-7-5-6-11-9-12/h5,7,10H,3-4,6,8H2,1-2H3.
What are the key properties of CID 165175679?
CID 165175679 has a molecular weight of 227.34 g/mol, XLogP of 1.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165175679 is sourced from PubChem (CID 165175679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).