methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate

C30H43NO6Si — CID 135070431

IUPACmethyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate
SMILESCOC(=O)CCCCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C=O)C(=O)OC(C)(C)C
InChIInChI=1S/C30H43NO6Si/c1-29(2,3)37-28(34)31(23-32)24(16-14-15-21-27(33)35-7)22-36-38(30(4,5)6,25-17-10-8-11-18-25)26-19-12-9-13-20-26/h8-13,17-20,23-24H,14-16,21-22H2,1-7H3
InChIKeyZNEPYOCCCTYLIW-UHFFFAOYSA-N
MW541.76 g/mol
LogP5.06
Rot. Bonds12

About methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate

methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate (PubChem CID 135070431) has the molecular formula C30H43NO6Si and a molecular weight of 541.76 g/mol. Its IUPAC name is methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate.

Molecular Properties

Compound Namemethyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate
PubChem CID135070431
Molecular FormulaC30H43NO6Si
Molecular Weight541.76 g/mol
Exact Mass541.29
IUPAC Namemethyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate
SMILESCOC(=O)CCCCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C=O)C(=O)OC(C)(C)C
InChIInChI=1S/C30H43NO6Si/c1-29(2,3)37-28(34)31(23-32)24(16-14-15-21-27(33)35-7)22-36-38(30(4,5)6,25-17-10-8-11-18-25)26-19-12-9-13-20-26/h8-13,17-20,23-24H,14-16,21-22H2,1-7H3
InChIKeyZNEPYOCCCTYLIW-UHFFFAOYSA-N
XLogP5.06
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.76
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate with MolForge

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Related Compounds

(S)-tert-Butyl 2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11762195
tert-Butyl (R)-2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11826537
tert-butyl N-[(2S)-4-(2-acetylcyclohexen-1-yl)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate
CID 11284257
tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate
CID 135013944
methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hept-2-enoate
CID 135070430
methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-3-phenylpropanoate
CID 162417428
methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]-4-phenylbutanoate
CID 162417429
methyl (3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[dimethyl(phenyl)silyl]pentanoate
CID 162417430
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate
CID 10929279
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate
CID 11730345
tert-butyl (2S,3S)-3-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
CID 21681571
tert-Butoxycarbonyl-5-(tert-butyldiphenylsilanyloxymethyl)pyrrolidin-2-one
CID 57055651

Frequently Asked Questions

What is the IUPAC name of methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate?
The IUPAC name of methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate (CID 135070431) is methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate.
What is the SMILES notation for methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate?
The canonical SMILES for methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate is COC(=O)CCCCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C=O)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate?
The InChIKey is ZNEPYOCCCTYLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43NO6Si/c1-29(2,3)37-28(34)31(23-32)24(16-14-15-21-27(33)35-7)22-36-38(30(4,5)6,25-17-10-8-11-18-25)26-19-12-9-13-20-26/h8-13,17-20,23-24H,14-16,21-22H2,1-7H3.
What are the key properties of methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate?
methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate has a molecular weight of 541.76 g/mol, XLogP of 5.06, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate is sourced from PubChem (CID 135070431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).