6-dimethoxysilyloctyl(ethyl)carbamic acid

C13H29NO4Si — CID 173191108

IUPAC6-dimethoxysilyloctyl(ethyl)carbamic acid
SMILESCCC(CCCCCN(CC)C(=O)O)[SiH](OC)OC
InChIInChI=1S/C13H29NO4Si/c1-5-12(19(17-3)18-4)10-8-7-9-11-14(6-2)13(15)16/h12,19H,5-11H2,1-4H3,(H,15,16)
InChIKeyOTZYVCAYFMNHCI-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.84
Rot. Bonds11

About 6-dimethoxysilyloctyl(ethyl)carbamic acid

6-dimethoxysilyloctyl(ethyl)carbamic acid (PubChem CID 173191108) has the molecular formula C13H29NO4Si and a molecular weight of 291.46 g/mol. Its IUPAC name is 6-dimethoxysilyloctyl(ethyl)carbamic acid.

Molecular Properties

Compound Name6-dimethoxysilyloctyl(ethyl)carbamic acid
PubChem CID173191108
Molecular FormulaC13H29NO4Si
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name6-dimethoxysilyloctyl(ethyl)carbamic acid
SMILESCCC(CCCCCN(CC)C(=O)O)[SiH](OC)OC
InChIInChI=1S/C13H29NO4Si/c1-5-12(19(17-3)18-4)10-8-7-9-11-14(6-2)13(15)16/h12,19H,5-11H2,1-4H3,(H,15,16)
InChIKeyOTZYVCAYFMNHCI-UHFFFAOYSA-N
XLogP2.84
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-dimethoxysilylhexyl(ethyl)carbamic acid
CID 173191114
4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid
CID 87910081
4-diethoxysilylhexyl(methyl)carbamic acid
CID 173191134
ethyl(5-triethoxysilylpentyl)carbamic acid
CID 87909995
hexyl(octadecyl)carbamic acid
CID 87702094
ethyl(2-hydroxyethyl)carbamic acid
CID 23202017
N,N-didodecyl-2-hydroxyoctadecanamide
CID 175541857
sodium;diethylcarbamic acid;hydride
CID 174452447
octan-2-yl N,N-diethylcarbamate
CID 175430238
N,N'-bis(3-dimethoxysilylbutyl)-N,N'-dimethyloctane-1,8-diamine
CID 172714286
methyl N-(4-diethoxysilylhexyl)carbamate
CID 154100096
N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide
CID 115771825

Frequently Asked Questions

What is the IUPAC name of 6-dimethoxysilyloctyl(ethyl)carbamic acid?
The IUPAC name of 6-dimethoxysilyloctyl(ethyl)carbamic acid (CID 173191108) is 6-dimethoxysilyloctyl(ethyl)carbamic acid.
What is the SMILES notation for 6-dimethoxysilyloctyl(ethyl)carbamic acid?
The canonical SMILES for 6-dimethoxysilyloctyl(ethyl)carbamic acid is CCC(CCCCCN(CC)C(=O)O)[SiH](OC)OC.
What is the InChIKey of 6-dimethoxysilyloctyl(ethyl)carbamic acid?
The InChIKey is OTZYVCAYFMNHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO4Si/c1-5-12(19(17-3)18-4)10-8-7-9-11-14(6-2)13(15)16/h12,19H,5-11H2,1-4H3,(H,15,16).
What are the key properties of 6-dimethoxysilyloctyl(ethyl)carbamic acid?
6-dimethoxysilyloctyl(ethyl)carbamic acid has a molecular weight of 291.46 g/mol, XLogP of 2.84, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dimethoxysilyloctyl(ethyl)carbamic acid is sourced from PubChem (CID 173191108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).