bis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid

C19H43NO6Si2 — CID 139778420

IUPACbis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid
SMILESCCO[Si](CC)(CCCN(CCC[Si](CC)(OCC)OCC)C(=O)O)OCC
InChIInChI=1S/C19H43NO6Si2/c1-7-23-27(11-5,24-8-2)17-13-15-20(19(21)22)16-14-18-28(12-6,25-9-3)26-10-4/h7-18H2,1-6H3,(H,21,22)
InChIKeyNQNFJRWABWZXFI-UHFFFAOYSA-N
MW437.73 g/mol
LogP4.82
Rot. Bonds18

About bis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid

bis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid (PubChem CID 139778420) has the molecular formula C19H43NO6Si2 and a molecular weight of 437.73 g/mol. Its IUPAC name is bis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid.

Molecular Properties

Compound Namebis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid
PubChem CID139778420
Molecular FormulaC19H43NO6Si2
Molecular Weight437.73 g/mol
Exact Mass437.26
IUPAC Namebis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid
SMILESCCO[Si](CC)(CCCN(CCC[Si](CC)(OCC)OCC)C(=O)O)OCC
InChIInChI=1S/C19H43NO6Si2/c1-7-23-27(11-5,24-8-2)17-13-15-20(19(21)22)16-14-18-28(12-6,25-9-3)26-10-4/h7-18H2,1-6H3,(H,21,22)
InChIKeyNQNFJRWABWZXFI-UHFFFAOYSA-N
XLogP4.82
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.73
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[diethoxy(ethyl)silyl]propyl-diethoxy-ethylsilane
CID 20761011
2-(2-ethoxyethoxy)ethyl-(3-triethoxysilylpropyl)carbamic acid
CID 175346086
N'-[3-[diethoxy(ethyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine
CID 140647627
ethyl(5-triethoxysilylpentyl)carbamic acid
CID 87909995
diethoxy-ethyl-tetradecylsilane
CID 139614055
diethoxy-ethyl-hexacosylsilane
CID 153322873
4-[diethoxy(ethyl)silyl]butane-1-thiol
CID 18369741
hexyl(octadecyl)carbamic acid
CID 87702094
CID 131883983
CID 131883983
12-[diethoxy(ethyl)silyl]dodecane-1-thiol
CID 87831762
3-[diethoxy(ethyl)silyl]-N-methylpropan-1-amine
CID 141338832
5-[diethoxy(ethyl)silyl]pentyl 2-methylprop-2-enoate
CID 139712375

Frequently Asked Questions

What is the IUPAC name of bis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid?
The IUPAC name of bis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid (CID 139778420) is bis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid.
What is the SMILES notation for bis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid?
The canonical SMILES for bis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid is CCO[Si](CC)(CCCN(CCC[Si](CC)(OCC)OCC)C(=O)O)OCC.
What is the InChIKey of bis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid?
The InChIKey is NQNFJRWABWZXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO6Si2/c1-7-23-27(11-5,24-8-2)17-13-15-20(19(21)22)16-14-18-28(12-6,25-9-3)26-10-4/h7-18H2,1-6H3,(H,21,22).
What are the key properties of bis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid?
bis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid has a molecular weight of 437.73 g/mol, XLogP of 4.82, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid is sourced from PubChem (CID 139778420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).