[bis(diethylcarbamoyloxy)-phenylsilyl] N,N-diethylcarbamate

C21H35N3O6Si — CID 12625991

IUPAC[bis(diethylcarbamoyloxy)-phenylsilyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)O[Si](OC(=O)N(CC)CC)(OC(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C21H35N3O6Si/c1-7-22(8-2)19(25)28-31(18-16-14-13-15-17-18,29-20(26)23(9-3)10-4)30-21(27)24(11-5)12-6/h13-17H,7-12H2,1-6H3
InChIKeyMSQFBPUGWYQFON-UHFFFAOYSA-N
MW453.61 g/mol
LogP3.27
Rot. Bonds10

About [bis(diethylcarbamoyloxy)-phenylsilyl] N,N-diethylcarbamate

[bis(diethylcarbamoyloxy)-phenylsilyl] N,N-diethylcarbamate (PubChem CID 12625991) has the molecular formula C21H35N3O6Si and a molecular weight of 453.61 g/mol. Its IUPAC name is [bis(diethylcarbamoyloxy)-phenylsilyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[bis(diethylcarbamoyloxy)-phenylsilyl] N,N-diethylcarbamate
PubChem CID12625991
Molecular FormulaC21H35N3O6Si
Molecular Weight453.61 g/mol
Exact Mass453.23
IUPAC Name[bis(diethylcarbamoyloxy)-phenylsilyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)O[Si](OC(=O)N(CC)CC)(OC(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C21H35N3O6Si/c1-7-22(8-2)19(25)28-31(18-16-14-13-15-17-18,29-20(26)23(9-3)10-4)30-21(27)24(11-5)12-6/h13-17H,7-12H2,1-6H3
InChIKeyMSQFBPUGWYQFON-UHFFFAOYSA-N
XLogP3.27
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

bis(N,N-diethylcarbamoyloxy)diphenylsilane
CID 138454603
N-[[acetyl(ethyl)amino]-phenyl-trimethylsilyloxysilyl]-N-ethylacetamide
CID 54334882
N-[[dimethoxy(phenyl)silyl]oxymethyl]-N-ethylethanamine
CID 70358006
cyclopenta-1,3-diene;tris(N,N-diethylcarbamate);titanium(4+)
CID 160131488
Se-[4-(diethylcarbamoylselanyl)phenyl] N,N-diethylcarbamoselenoate
CID 10550777
[dimethyl(phenyl)silyl]methyl N,N-di(propan-2-yl)carbamate
CID 101776461
[tert-butyl(diphenyl)silyl] N,N-diethylcarbamate
CID 101858554

Frequently Asked Questions

What is the IUPAC name of [bis(diethylcarbamoyloxy)-phenylsilyl] N,N-diethylcarbamate?
The IUPAC name of [bis(diethylcarbamoyloxy)-phenylsilyl] N,N-diethylcarbamate (CID 12625991) is [bis(diethylcarbamoyloxy)-phenylsilyl] N,N-diethylcarbamate.
What is the SMILES notation for [bis(diethylcarbamoyloxy)-phenylsilyl] N,N-diethylcarbamate?
The canonical SMILES for [bis(diethylcarbamoyloxy)-phenylsilyl] N,N-diethylcarbamate is CCN(CC)C(=O)O[Si](OC(=O)N(CC)CC)(OC(=O)N(CC)CC)c1ccccc1.
What is the InChIKey of [bis(diethylcarbamoyloxy)-phenylsilyl] N,N-diethylcarbamate?
The InChIKey is MSQFBPUGWYQFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O6Si/c1-7-22(8-2)19(25)28-31(18-16-14-13-15-17-18,29-20(26)23(9-3)10-4)30-21(27)24(11-5)12-6/h13-17H,7-12H2,1-6H3.
What are the key properties of [bis(diethylcarbamoyloxy)-phenylsilyl] N,N-diethylcarbamate?
[bis(diethylcarbamoyloxy)-phenylsilyl] N,N-diethylcarbamate has a molecular weight of 453.61 g/mol, XLogP of 3.27, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(diethylcarbamoyloxy)-phenylsilyl] N,N-diethylcarbamate is sourced from PubChem (CID 12625991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).