ethyl(5-triethoxysilylpentyl)carbamic acid

C14H31NO5Si — CID 87909995

IUPACethyl(5-triethoxysilylpentyl)carbamic acid
SMILESCCO[Si](CCCCCN(CC)C(=O)O)(OCC)OCC
InChIInChI=1S/C14H31NO5Si/c1-5-15(14(16)17)12-10-9-11-13-21(18-6-2,19-7-3)20-8-4/h5-13H2,1-4H3,(H,16,17)
InChIKeyZWECNFIXLJCOLD-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.20
Rot. Bonds13

About ethyl(5-triethoxysilylpentyl)carbamic acid

ethyl(5-triethoxysilylpentyl)carbamic acid (PubChem CID 87909995) has the molecular formula C14H31NO5Si and a molecular weight of 321.49 g/mol. Its IUPAC name is ethyl(5-triethoxysilylpentyl)carbamic acid.

Molecular Properties

Compound Nameethyl(5-triethoxysilylpentyl)carbamic acid
PubChem CID87909995
Molecular FormulaC14H31NO5Si
Molecular Weight321.49 g/mol
Exact Mass321.20
IUPAC Nameethyl(5-triethoxysilylpentyl)carbamic acid
SMILESCCO[Si](CCCCCN(CC)C(=O)O)(OCC)OCC
InChIInChI=1S/C14H31NO5Si/c1-5-15(14(16)17)12-10-9-11-13-21(18-6-2,19-7-3)20-8-4/h5-13H2,1-4H3,(H,16,17)
InChIKeyZWECNFIXLJCOLD-UHFFFAOYSA-N
XLogP3.20
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.20
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

2-(2-ethoxyethoxy)ethyl-(3-triethoxysilylpropyl)carbamic acid
CID 175346086
4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid
CID 87910081
30-triethoxysilyltriacontanoic acid
CID 87687022
11-triethoxysilylundecanoic acid
CID 22725829
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
18-triethoxysilyloctadecanoic acid
CID 87685990
1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea
CID 123366285
methyl-[6-tris(triethoxysilyloxy)silylhexyl]carbamic acid
CID 87910071
[[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate
CID 140661187
bis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid
CID 139778420
tert-butyl(3-triethoxysilylpropyl)carbamic acid;silane
CID 174147309
1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265

Frequently Asked Questions

What is the IUPAC name of ethyl(5-triethoxysilylpentyl)carbamic acid?
The IUPAC name of ethyl(5-triethoxysilylpentyl)carbamic acid (CID 87909995) is ethyl(5-triethoxysilylpentyl)carbamic acid.
What is the SMILES notation for ethyl(5-triethoxysilylpentyl)carbamic acid?
The canonical SMILES for ethyl(5-triethoxysilylpentyl)carbamic acid is CCO[Si](CCCCCN(CC)C(=O)O)(OCC)OCC.
What is the InChIKey of ethyl(5-triethoxysilylpentyl)carbamic acid?
The InChIKey is ZWECNFIXLJCOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO5Si/c1-5-15(14(16)17)12-10-9-11-13-21(18-6-2,19-7-3)20-8-4/h5-13H2,1-4H3,(H,16,17).
What are the key properties of ethyl(5-triethoxysilylpentyl)carbamic acid?
ethyl(5-triethoxysilylpentyl)carbamic acid has a molecular weight of 321.49 g/mol, XLogP of 3.20, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(5-triethoxysilylpentyl)carbamic acid is sourced from PubChem (CID 87909995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).