10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid

C23H47NO5Si — CID 10718218

IUPAC10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid
SMILESCC(C)(C)OC(=O)N(CCCCCCCCCC(=O)O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H47NO5Si/c1-22(2,3)29-21(27)24(18-19-28-30(7,8)23(4,5)6)17-15-13-11-9-10-12-14-16-20(25)26/h9-19H2,1-8H3,(H,25,26)
InChIKeyJWMCSWNJUSNWDV-UHFFFAOYSA-N
MW445.72 g/mol
LogP6.45
Rot. Bonds14

About 10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid

10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid (PubChem CID 10718218) has the molecular formula C23H47NO5Si and a molecular weight of 445.72 g/mol. Its IUPAC name is 10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid.

Molecular Properties

Compound Name10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid
PubChem CID10718218
Molecular FormulaC23H47NO5Si
Molecular Weight445.72 g/mol
Exact Mass445.32
IUPAC Name10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid
SMILESCC(C)(C)OC(=O)N(CCCCCCCCCC(=O)O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H47NO5Si/c1-22(2,3)29-21(27)24(18-19-28-30(7,8)23(4,5)6)17-15-13-11-9-10-12-14-16-20(25)26/h9-19H2,1-8H3,(H,25,26)
InChIKeyJWMCSWNJUSNWDV-UHFFFAOYSA-N
XLogP6.45
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.72
LogP ≤ 56.45
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

11-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]undecanoic acid
CID 10500427
tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate
CID 155738458
tert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate
CID 58080821
15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid
CID 168962220
3-[2-carboxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 15666718
3-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]propanoic acid
CID 164815617
3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 42656893
tert-butyl N-(4-hydroxybutyl)-N-[8-[4-hydroxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octyl]carbamate
CID 18920510
5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 22006392
tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate
CID 57299810
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate
CID 67539980
tert-butyl N,N-dipentylcarbamate
CID 65142743

Frequently Asked Questions

What is the IUPAC name of 10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid?
The IUPAC name of 10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid (CID 10718218) is 10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid.
What is the SMILES notation for 10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid?
The canonical SMILES for 10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid is CC(C)(C)OC(=O)N(CCCCCCCCCC(=O)O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid?
The InChIKey is JWMCSWNJUSNWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO5Si/c1-22(2,3)29-21(27)24(18-19-28-30(7,8)23(4,5)6)17-15-13-11-9-10-12-14-16-20(25)26/h9-19H2,1-8H3,(H,25,26).
What are the key properties of 10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid?
10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid has a molecular weight of 445.72 g/mol, XLogP of 6.45, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid is sourced from PubChem (CID 10718218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).