(2E,4E,6E,8E,10Z,12R,13R,14E)-13-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-1-methoxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide

C30H51NO3Si — CID 25034370

IUPAC(2E,4E,6E,8E,10Z,12R,13R,14E)-13-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-1-methoxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide
SMILESC/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)\C=C\C=C\C=C\C=C(/C)C(=O)N[C@@H](C)COC
InChIInChI=1S/C30H51NO3Si/c1-13-24(3)28(34-35(11,12)30(7,8)9)26(5)21-23(2)19-17-15-14-16-18-20-25(4)29(32)31-27(6)22-33-10/h13-21,26-28H,22H2,1-12H3,(H,31,32)/b15-14+,18-16+,19-17+,23-21-,24-13+,25-20+/t26-,27+,28+/m1/s1
InChIKeyQBDZTVNHHSAVPW-ZPKQHZEHSA-N
MW501.83 g/mol
LogP7.69
Rot. Bonds13

About (2E,4E,6E,8E,10Z,12R,13R,14E)-13-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-1-methoxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide

(2E,4E,6E,8E,10Z,12R,13R,14E)-13-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-1-methoxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide (PubChem CID 25034370) has the molecular formula C30H51NO3Si and a molecular weight of 501.83 g/mol. Its IUPAC name is (2E,4E,6E,8E,10Z,12R,13R,14E)-13-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-1-methoxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide.

Molecular Properties

Compound Name(2E,4E,6E,8E,10Z,12R,13R,14E)-13-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-1-methoxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide
PubChem CID25034370
Molecular FormulaC30H51NO3Si
Molecular Weight501.83 g/mol
Exact Mass501.36
IUPAC Name(2E,4E,6E,8E,10Z,12R,13R,14E)-13-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-1-methoxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide
SMILESC/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)\C=C\C=C\C=C\C=C(/C)C(=O)N[C@@H](C)COC
InChIInChI=1S/C30H51NO3Si/c1-13-24(3)28(34-35(11,12)30(7,8)9)26(5)21-23(2)19-17-15-14-16-18-20-25(4)29(32)31-27(6)22-33-10/h13-21,26-28H,22H2,1-12H3,(H,31,32)/b15-14+,18-16+,19-17+,23-21-,24-13+,25-20+/t26-,27+,28+/m1/s1
InChIKeyQBDZTVNHHSAVPW-ZPKQHZEHSA-N
XLogP7.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.83
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6E,8E,10Z,12R,13R,14E)-13-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-1-methoxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide 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

methyl (2E,4E,6R,7R,8E)-9-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8-trimethylnona-2,4,8-trienoate
CID 71528231
(2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol
CID 11500377
(2E,4E,6E,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14-tetramethylheptadeca-2,4,6,8,10,14-hexaenamide
CID 6439800
(2R,4R,6E,8R,9R,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8,10-pentamethyldodeca-6,10-dienoic acid
CID 102342235
methyl (2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6,8-trimethyldeca-2,8-dienoate
CID 11314713
tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane
CID 10266482
methyl (2E,4E,6S,7S,10S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dienoate
CID 11069627
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-2-one
CID 42643391
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane
CID 90919260
(2E,5S,6S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyl-5-(methylsulfanylmethoxy)deca-2,8-dienoic acid
CID 164992495
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11128611
12,13,15-tris[[tert-butyl(dimethyl)silyl]oxy]-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoic acid
CID 72973282

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10Z,12R,13R,14E)-13-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-1-methoxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide?
The IUPAC name of (2E,4E,6E,8E,10Z,12R,13R,14E)-13-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-1-methoxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide (CID 25034370) is (2E,4E,6E,8E,10Z,12R,13R,14E)-13-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-1-methoxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide.
What is the SMILES notation for (2E,4E,6E,8E,10Z,12R,13R,14E)-13-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-1-methoxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide?
The canonical SMILES for (2E,4E,6E,8E,10Z,12R,13R,14E)-13-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-1-methoxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide is C/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)\C=C\C=C\C=C\C=C(/C)C(=O)N[C@@H](C)COC.
What is the InChIKey of (2E,4E,6E,8E,10Z,12R,13R,14E)-13-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-1-methoxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide?
The InChIKey is QBDZTVNHHSAVPW-ZPKQHZEHSA-N. The full InChI is InChI=1S/C30H51NO3Si/c1-13-24(3)28(34-35(11,12)30(7,8)9)26(5)21-23(2)19-17-15-14-16-18-20-25(4)29(32)31-27(6)22-33-10/h13-21,26-28H,22H2,1-12H3,(H,31,32)/b15-14+,18-16+,19-17+,23-21-,24-13+,25-20+/t26-,27+,28+/m1/s1.
What are the key properties of (2E,4E,6E,8E,10Z,12R,13R,14E)-13-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-1-methoxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide?
(2E,4E,6E,8E,10Z,12R,13R,14E)-13-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-1-methoxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide has a molecular weight of 501.83 g/mol, XLogP of 7.69, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10Z,12R,13R,14E)-13-[tert-butyl(dimethyl)silyl]oxy-N-[(2S)-1-methoxypropan-2-yl]-2,10,12,14-tetramethylhexadeca-2,4,6,8,10,14-hexaenamide is sourced from PubChem (CID 25034370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).