4-diethoxysilylhexyl(methyl)carbamic acid

C12H27NO4Si — CID 173191134

IUPAC4-diethoxysilylhexyl(methyl)carbamic acid
SMILESCCO[SiH](OCC)C(CC)CCCN(C)C(=O)O
InChIInChI=1S/C12H27NO4Si/c1-5-11(18(16-6-2)17-7-3)9-8-10-13(4)12(14)15/h11,18H,5-10H2,1-4H3,(H,14,15)
InChIKeyJMWDPUARPUUZNL-UHFFFAOYSA-N
MW277.44 g/mol
LogP2.45
Rot. Bonds10

About 4-diethoxysilylhexyl(methyl)carbamic acid

4-diethoxysilylhexyl(methyl)carbamic acid (PubChem CID 173191134) has the molecular formula C12H27NO4Si and a molecular weight of 277.44 g/mol. Its IUPAC name is 4-diethoxysilylhexyl(methyl)carbamic acid.

Molecular Properties

Compound Name4-diethoxysilylhexyl(methyl)carbamic acid
PubChem CID173191134
Molecular FormulaC12H27NO4Si
Molecular Weight277.44 g/mol
Exact Mass277.17
IUPAC Name4-diethoxysilylhexyl(methyl)carbamic acid
SMILESCCO[SiH](OCC)C(CC)CCCN(C)C(=O)O
InChIInChI=1S/C12H27NO4Si/c1-5-11(18(16-6-2)17-7-3)9-8-10-13(4)12(14)15/h11,18H,5-10H2,1-4H3,(H,14,15)
InChIKeyJMWDPUARPUUZNL-UHFFFAOYSA-N
XLogP2.45
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(4-diethoxysilylhexyl)carbamate
CID 154100096
4-(dimethylamino)pentyl-methylcarbamic acid
CID 23983768
ethyl N-(5-diethoxysilylheptyl)carbamate
CID 154096304
5-diethoxysilylheptan-1-amine
CID 154490581
6-dimethoxysilyloctyl(ethyl)carbamic acid
CID 173191108
3-hydroxyheptyl(methyl)carbamic acid
CID 87975843
5-hydroxypentyl(methyl)carbamic acid
CID 90197062
hexadecyl(methyl)carbamic acid
CID 15173799
3-iodopropyl(methyl)carbamic acid
CID 21077788
3-dipropoxysilyl-N-(3-dipropoxysilylpentyl)-N-methylpentan-1-amine
CID 154343921
5-[carboxy(methyl)amino]pentanoic acid
CID 89340824
3-(3-hydroxypropylamino)propyl-methylcarbamic acid
CID 174166438

Frequently Asked Questions

What is the IUPAC name of 4-diethoxysilylhexyl(methyl)carbamic acid?
The IUPAC name of 4-diethoxysilylhexyl(methyl)carbamic acid (CID 173191134) is 4-diethoxysilylhexyl(methyl)carbamic acid.
What is the SMILES notation for 4-diethoxysilylhexyl(methyl)carbamic acid?
The canonical SMILES for 4-diethoxysilylhexyl(methyl)carbamic acid is CCO[SiH](OCC)C(CC)CCCN(C)C(=O)O.
What is the InChIKey of 4-diethoxysilylhexyl(methyl)carbamic acid?
The InChIKey is JMWDPUARPUUZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO4Si/c1-5-11(18(16-6-2)17-7-3)9-8-10-13(4)12(14)15/h11,18H,5-10H2,1-4H3,(H,14,15).
What are the key properties of 4-diethoxysilylhexyl(methyl)carbamic acid?
4-diethoxysilylhexyl(methyl)carbamic acid has a molecular weight of 277.44 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxysilylhexyl(methyl)carbamic acid is sourced from PubChem (CID 173191134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).