2-methyl-6-[[4-tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid

C24H41NO5Si — CID 59804670

IUPAC2-methyl-6-[[4-tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid
SMILESCC(CCCCNC(=O)OCc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1)C(=O)O
InChIInChI=1S/C24H41NO5Si/c1-17(2)31(18(3)4,19(5)6)30-22-13-11-21(12-14-22)16-29-24(28)25-15-9-8-10-20(7)23(26)27/h11-14,17-20H,8-10,15-16H2,1-7H3,(H,25,28)(H,26,27)
InChIKeySHAHEIDMIQQFNM-UHFFFAOYSA-N
MW451.68 g/mol
LogP6.36
Rot. Bonds13

About 2-methyl-6-[[4-tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid

2-methyl-6-[[4-tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid (PubChem CID 59804670) has the molecular formula C24H41NO5Si and a molecular weight of 451.68 g/mol. Its IUPAC name is 2-methyl-6-[[4-tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Name2-methyl-6-[[4-tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid
PubChem CID59804670
Molecular FormulaC24H41NO5Si
Molecular Weight451.68 g/mol
Exact Mass451.28
IUPAC Name2-methyl-6-[[4-tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid
SMILESCC(CCCCNC(=O)OCc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1)C(=O)O
InChIInChI=1S/C24H41NO5Si/c1-17(2)31(18(3)4,19(5)6)30-22-13-11-21(12-14-22)16-29-24(28)25-15-9-8-10-20(7)23(26)27/h11-14,17-20H,8-10,15-16H2,1-7H3,(H,25,28)(H,26,27)
InChIKeySHAHEIDMIQQFNM-UHFFFAOYSA-N
XLogP6.36
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.68
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-6-[[4-tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid with MolForge

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Related Compounds

2-Methylene-5-(p-methoxybenzyloxycarbonyl)aminopentanoic acid
CID 13548122
4-({[(4-Methoxybenzyl)oxy]carbonyl}amino)butanoic acid
CID 54457469
(2E)-2-[(3-fluoro-4-methoxyphenyl)methylidene]-8-(3-triethoxysilylpropylcarbamoyloxy)octanoic acid
CID 142687783
Tyr, N-isoBOC TBDMS
CID 6430007
Octopamine, N-isoBOC, O-TBDMS
CID 91749316
Tyramine, iso-BOC, O-TBDMS
CID 91749323
EtOCO-DL-Tyr(TBDMS)-OTBDMS
CID 91752664
N-{[(4-Methoxyphenyl)methoxy]carbonyl}-L-leucine
CID 13817520
(2S,3S)-2-[(4-methoxyphenyl)methoxycarbonylamino]-3-methylpentanoic acid
CID 13820946
2-[(4-Methoxyphenyl)methoxycarbonylamino]-3-methylpentanoic acid
CID 13820947
(2S)-2-amino-6-[(4-methoxyphenyl)methoxycarbonylamino]hexanoic acid
CID 13919408
3-[4-[Tert-butyl(dimethyl)silyl]oxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 14187379

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[4-tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid?
The IUPAC name of 2-methyl-6-[[4-tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid (CID 59804670) is 2-methyl-6-[[4-tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid.
What is the SMILES notation for 2-methyl-6-[[4-tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid?
The canonical SMILES for 2-methyl-6-[[4-tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid is CC(CCCCNC(=O)OCc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1)C(=O)O.
What is the InChIKey of 2-methyl-6-[[4-tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid?
The InChIKey is SHAHEIDMIQQFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO5Si/c1-17(2)31(18(3)4,19(5)6)30-22-13-11-21(12-14-22)16-29-24(28)25-15-9-8-10-20(7)23(26)27/h11-14,17-20H,8-10,15-16H2,1-7H3,(H,25,28)(H,26,27).
What are the key properties of 2-methyl-6-[[4-tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid?
2-methyl-6-[[4-tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid has a molecular weight of 451.68 g/mol, XLogP of 6.36, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[4-tri(propan-2-yl)silyloxyphenyl]methoxycarbonylamino]hexanoic acid is sourced from PubChem (CID 59804670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).