(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl]-5-[(4-methoxyphenyl)methoxy]-N,2,4,6-tetramethyldeca-7,9-dienamide

C49H83NO7Si2 — CID 58762099

IUPAC(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl]-5-[(4-methoxyphenyl)methoxy]-N,2,4,6-tetramethyldeca-7,9-dienamide
SMILESC=C/C=C\[C@H](C)C(OCc1ccc(OC)cc1)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)N(C)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COCc1ccc(OC)cc1
InChIInChI=1S/C49H83NO7Si2/c1-20-21-22-35(2)45(55-34-41-25-29-43(53-15)30-26-41)38(5)46(57-59(18,19)49(10,11)12)39(6)47(51)50(13)31-36(3)44(56-58(16,17)48(7,8)9)37(4)32-54-33-40-23-27-42(52-14)28-24-40/h20-30,35-39,44-46H,1,31-34H2,2-19H3/b22-21-/t35-,36-,37-,38?,39?,44+,45?,46?/m0/s1
InChIKeyPDAGFZIXPJWHJX-REMGPWONSA-N
MW854.37 g/mol
LogP11.97
Rot. Bonds24

About (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl]-5-[(4-methoxyphenyl)methoxy]-N,2,4,6-tetramethyldeca-7,9-dienamide

(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl]-5-[(4-methoxyphenyl)methoxy]-N,2,4,6-tetramethyldeca-7,9-dienamide (PubChem CID 58762099) has the molecular formula C49H83NO7Si2 and a molecular weight of 854.37 g/mol. Its IUPAC name is (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl]-5-[(4-methoxyphenyl)methoxy]-N,2,4,6-tetramethyldeca-7,9-dienamide.

Molecular Properties

Compound Name(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl]-5-[(4-methoxyphenyl)methoxy]-N,2,4,6-tetramethyldeca-7,9-dienamide
PubChem CID58762099
Molecular FormulaC49H83NO7Si2
Molecular Weight854.37 g/mol
Exact Mass853.57
IUPAC Name(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl]-5-[(4-methoxyphenyl)methoxy]-N,2,4,6-tetramethyldeca-7,9-dienamide
SMILESC=C/C=C\[C@H](C)C(OCc1ccc(OC)cc1)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)N(C)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COCc1ccc(OC)cc1
InChIInChI=1S/C49H83NO7Si2/c1-20-21-22-35(2)45(55-34-41-25-29-43(53-15)30-26-41)38(5)46(57-59(18,19)49(10,11)12)39(6)47(51)50(13)31-36(3)44(56-58(16,17)48(7,8)9)37(4)32-54-33-40-23-27-42(52-14)28-24-40/h20-30,35-39,44-46H,1,31-34H2,2-19H3/b22-21-/t35-,36-,37-,38?,39?,44+,45?,46?/m0/s1
InChIKeyPDAGFZIXPJWHJX-REMGPWONSA-N
XLogP11.97
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.37
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl]-5-[(4-methoxyphenyl)methoxy]-N,2,4,6-tetramethyldeca-7,9-dienamide with MolForge

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Related Compounds

(2S,3R,4R,5R,6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyldeca-7,9-dien-1-ol
CID 59891908
(2S,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol
CID 11018005
tert-butyl-[(Z,2S,3S,4S)-6-iodo-1-[(4-methoxyphenyl)methoxy]-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilane
CID 16732701
(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide
CID 58762113
methyl (2R,3S,4S,5S,8Z,10S,11S,12S,13Z,16S,17R,18R,19S,20S,21Z)-3,5,11,17-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-19-[(4-methoxyphenyl)methoxy]-2,4,10,12,14,16,18,20-octamethyl-7-oxotetracosa-8,13,21,23-tetraenoate
CID 11194132
(2S,3R,4S,8S,9R,10R,11S,12S)-9-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol
CID 90829144
(2S,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3,6-bis[(4-methoxyphenyl)methoxy]-N,2,4-trimethylhexanamide
CID 101199274
(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide
CID 58762158
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 177467980
3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 58762106
methyl (6R,7S,9S,12S,13R,14S,19R,20R,21S,22S)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-[(4-methoxyphenyl)methoxy]-6,12,14,20,22-pentamethylhexacosa-2,4,10,23,25-pentaenoate
CID 91306849
tert-butyl-[(2R,3S,4S)-1-iodo-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentan-3-yl]oxy-dimethylsilane
CID 11329357

Frequently Asked Questions

What is the IUPAC name of (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl]-5-[(4-methoxyphenyl)methoxy]-N,2,4,6-tetramethyldeca-7,9-dienamide?
The IUPAC name of (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl]-5-[(4-methoxyphenyl)methoxy]-N,2,4,6-tetramethyldeca-7,9-dienamide (CID 58762099) is (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl]-5-[(4-methoxyphenyl)methoxy]-N,2,4,6-tetramethyldeca-7,9-dienamide.
What is the SMILES notation for (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl]-5-[(4-methoxyphenyl)methoxy]-N,2,4,6-tetramethyldeca-7,9-dienamide?
The canonical SMILES for (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl]-5-[(4-methoxyphenyl)methoxy]-N,2,4,6-tetramethyldeca-7,9-dienamide is C=C/C=C\[C@H](C)C(OCc1ccc(OC)cc1)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)N(C)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COCc1ccc(OC)cc1.
What is the InChIKey of (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl]-5-[(4-methoxyphenyl)methoxy]-N,2,4,6-tetramethyldeca-7,9-dienamide?
The InChIKey is PDAGFZIXPJWHJX-REMGPWONSA-N. The full InChI is InChI=1S/C49H83NO7Si2/c1-20-21-22-35(2)45(55-34-41-25-29-43(53-15)30-26-41)38(5)46(57-59(18,19)49(10,11)12)39(6)47(51)50(13)31-36(3)44(56-58(16,17)48(7,8)9)37(4)32-54-33-40-23-27-42(52-14)28-24-40/h20-30,35-39,44-46H,1,31-34H2,2-19H3/b22-21-/t35-,36-,37-,38?,39?,44+,45?,46?/m0/s1.
What are the key properties of (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl]-5-[(4-methoxyphenyl)methoxy]-N,2,4,6-tetramethyldeca-7,9-dienamide?
(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl]-5-[(4-methoxyphenyl)methoxy]-N,2,4,6-tetramethyldeca-7,9-dienamide has a molecular weight of 854.37 g/mol, XLogP of 11.97, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl]-5-[(4-methoxyphenyl)methoxy]-N,2,4,6-tetramethyldeca-7,9-dienamide is sourced from PubChem (CID 58762099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).