2-[[(Z)-2-methyl-11-oxo-11-phenylmethoxyundec-6-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl (Z)-10-[2-[(Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate

C70H121N3O13Si — CID 10772696

IUPAC2-[[(Z)-2-methyl-11-oxo-11-phenylmethoxyundec-6-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl (Z)-10-[2-[(Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate
SMILESCC(C)(C)OC(=O)N(CCOC(=O)CCC/C=C\CCCC(C)(C)N(CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)C(C)(C)CCC/C=C\CCCC(=O)OCCN(C(=O)OC(C)(C)C)C(C)(C)CCC/C=C\CCCC(=O)OCc1ccccc1
InChIInChI=1S/C70H121N3O13Si/c1-64(2,3)84-61(77)71(50-53-81-59(75)45-37-28-22-25-32-41-49-70(17,18)73(63(79)86-66(7,8)9)52-55-83-87(19,20)67(10,11)12)68(13,14)47-39-30-24-21-27-36-44-58(74)80-54-51-72(62(78)85-65(4,5)6)69(15,16)48-40-31-26-23-29-38-46-60(76)82-56-57-42-34-33-35-43-57/h21-26,33-35,42-43H,27-32,36-41,44-56H2,1-20H3/b24-21-,25-22-,26-23-
InChIKeyVQBGYJRKWZBVOZ-QTZAHZFESA-N
MW1240.83 g/mol
LogP17.58
Rot. Bonds39

About 2-[[(Z)-2-methyl-11-oxo-11-phenylmethoxyundec-6-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl (Z)-10-[2-[(Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate

2-[[(Z)-2-methyl-11-oxo-11-phenylmethoxyundec-6-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl (Z)-10-[2-[(Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate (PubChem CID 10772696) has the molecular formula C70H121N3O13Si and a molecular weight of 1240.83 g/mol. Its IUPAC name is 2-[[(Z)-2-methyl-11-oxo-11-phenylmethoxyundec-6-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl (Z)-10-[2-[(Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate.

Molecular Properties

Compound Name2-[[(Z)-2-methyl-11-oxo-11-phenylmethoxyundec-6-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl (Z)-10-[2-[(Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate
PubChem CID10772696
Molecular FormulaC70H121N3O13Si
Molecular Weight1240.83 g/mol
Exact Mass1239.87
IUPAC Name2-[[(Z)-2-methyl-11-oxo-11-phenylmethoxyundec-6-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl (Z)-10-[2-[(Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate
SMILESCC(C)(C)OC(=O)N(CCOC(=O)CCC/C=C\CCCC(C)(C)N(CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)C(C)(C)CCC/C=C\CCCC(=O)OCCN(C(=O)OC(C)(C)C)C(C)(C)CCC/C=C\CCCC(=O)OCc1ccccc1
InChIInChI=1S/C70H121N3O13Si/c1-64(2,3)84-61(77)71(50-53-81-59(75)45-37-28-22-25-32-41-49-70(17,18)73(63(79)86-66(7,8)9)52-55-83-87(19,20)67(10,11)12)68(13,14)47-39-30-24-21-27-36-44-58(74)80-54-51-72(62(78)85-65(4,5)6)69(15,16)48-40-31-26-23-29-38-46-60(76)82-56-57-42-34-33-35-43-57/h21-26,33-35,42-43H,27-32,36-41,44-56H2,1-20H3/b24-21-,25-22-,26-23-
InChIKeyVQBGYJRKWZBVOZ-QTZAHZFESA-N
XLogP17.58
TPSA176.75 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds39
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001240.83
LogP ≤ 517.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[(Z)-2-methyl-11-oxo-11-phenylmethoxyundec-6-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl (Z)-10-[2-[(Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl (Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate
CID 10698140
(5Z,8Z,11S)-11-[2-[(5Z,8Z,11S)-11-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]tetradeca-5,8-dienoyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]tetradeca-5,8-dienoic acid
CID 10748496
benzyl (Z)-hept-5-enoate
CID 163975250
benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate
CID 156621112
tert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate
CID 139793833
4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
CID 11688619
benzyl 4-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 135337820
benzyl 4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyloxy]butanoate
CID 160546469
6-O-benzyl 1-O-tert-butyl (2S)-2-amino-2-hydroxyhexanedioate
CID 175248355
benzyl 4-[4-bromo-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]butanoate
CID 140557746
benzyl 4-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]oxybutanoate
CID 138698596
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate
CID 67539980

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2-methyl-11-oxo-11-phenylmethoxyundec-6-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl (Z)-10-[2-[(Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate?
The IUPAC name of 2-[[(Z)-2-methyl-11-oxo-11-phenylmethoxyundec-6-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl (Z)-10-[2-[(Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate (CID 10772696) is 2-[[(Z)-2-methyl-11-oxo-11-phenylmethoxyundec-6-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl (Z)-10-[2-[(Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate.
What is the SMILES notation for 2-[[(Z)-2-methyl-11-oxo-11-phenylmethoxyundec-6-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl (Z)-10-[2-[(Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate?
The canonical SMILES for 2-[[(Z)-2-methyl-11-oxo-11-phenylmethoxyundec-6-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl (Z)-10-[2-[(Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate is CC(C)(C)OC(=O)N(CCOC(=O)CCC/C=C\CCCC(C)(C)N(CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)C(C)(C)CCC/C=C\CCCC(=O)OCCN(C(=O)OC(C)(C)C)C(C)(C)CCC/C=C\CCCC(=O)OCc1ccccc1.
What is the InChIKey of 2-[[(Z)-2-methyl-11-oxo-11-phenylmethoxyundec-6-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl (Z)-10-[2-[(Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate?
The InChIKey is VQBGYJRKWZBVOZ-QTZAHZFESA-N. The full InChI is InChI=1S/C70H121N3O13Si/c1-64(2,3)84-61(77)71(50-53-81-59(75)45-37-28-22-25-32-41-49-70(17,18)73(63(79)86-66(7,8)9)52-55-83-87(19,20)67(10,11)12)68(13,14)47-39-30-24-21-27-36-44-58(74)80-54-51-72(62(78)85-65(4,5)6)69(15,16)48-40-31-26-23-29-38-46-60(76)82-56-57-42-34-33-35-43-57/h21-26,33-35,42-43H,27-32,36-41,44-56H2,1-20H3/b24-21-,25-22-,26-23-.
What are the key properties of 2-[[(Z)-2-methyl-11-oxo-11-phenylmethoxyundec-6-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl (Z)-10-[2-[(Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate?
2-[[(Z)-2-methyl-11-oxo-11-phenylmethoxyundec-6-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl (Z)-10-[2-[(Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate has a molecular weight of 1240.83 g/mol, XLogP of 17.58, 39 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-methyl-11-oxo-11-phenylmethoxyundec-6-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl (Z)-10-[2-[(Z)-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-10-methylundec-5-enoate is sourced from PubChem (CID 10772696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).