ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate

C12H27NO4Si — CID 22065744

IUPACethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate
SMILESCCOC(=O)NCCCC[Si](C)(OCC)OCC
InChIInChI=1S/C12H27NO4Si/c1-5-15-12(14)13-10-8-9-11-18(4,16-6-2)17-7-3/h5-11H2,1-4H3,(H,13,14)
InChIKeyFGJQBLKTMGZUCV-UHFFFAOYSA-N
MW277.44 g/mol
LogP2.66
Rot. Bonds10

About ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate

ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate (PubChem CID 22065744) has the molecular formula C12H27NO4Si and a molecular weight of 277.44 g/mol. Its IUPAC name is ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate
PubChem CID22065744
Molecular FormulaC12H27NO4Si
Molecular Weight277.44 g/mol
Exact Mass277.17
IUPAC Nameethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate
SMILESCCOC(=O)NCCCC[Si](C)(OCC)OCC
InChIInChI=1S/C12H27NO4Si/c1-5-15-12(14)13-10-8-9-11-18(4,16-6-2)17-7-3/h5-11H2,1-4H3,(H,13,14)
InChIKeyFGJQBLKTMGZUCV-UHFFFAOYSA-N
XLogP2.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate
CID 22065771
N-[8-[diethoxy(methyl)silyl]octyl]-2-methylprop-2-enamide
CID 169083674
ethyl N-[4-[ethyl(dimethoxy)silyl]butyl]carbamate
CID 22065746
ethyl N-pentylcarbamate;molecular hydrogen
CID 144707545
ethyl N-(6-bromohexyl)carbamate
CID 87279639
ethyl N-(4,4-dihydroxybutyl)carbamate
CID 87555159
ethyl N-(5-oxopentyl)carbamate
CID 58601506
ethyl N-propylcarbamate
CID 12199
ethyl 4-(ethoxycarbonylamino)butanoate
CID 14140662
bis[3-[diethoxy(methyl)silyl]propyl] carbonate
CID 54561598
5-(ethoxycarbonylamino)pentyl ethyl carbonate
CID 91703064
N-[3-[diethoxy(methyl)silyl]propyl]formamide
CID 125472982

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate?
The IUPAC name of ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate (CID 22065744) is ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate.
What is the SMILES notation for ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate?
The canonical SMILES for ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate is CCOC(=O)NCCCC[Si](C)(OCC)OCC.
What is the InChIKey of ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate?
The InChIKey is FGJQBLKTMGZUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4Si/c1-5-15-12(14)13-10-8-9-11-18(4,16-6-2)17-7-3/h5-11H2,1-4H3,(H,13,14).
What are the key properties of ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate?
ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate has a molecular weight of 277.44 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[diethoxy(methyl)silyl]butyl]carbamate is sourced from PubChem (CID 22065744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).