(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

C33H65NO5Si2 — CID 58762158

IUPAC(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
SMILESC=C/C=C\[C@H](C)C(O)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(C)C=O
InChIInChI=1S/C33H65NO5Si2/c1-18-19-20-23(2)28(36)26(5)30(39-41(16,17)33(10,11)12)27(6)31(37)34(13)21-24(3)29(25(4)22-35)38-40(14,15)32(7,8)9/h18-20,22-30,36H,1,21H2,2-17H3/b20-19-/t23-,24-,25?,26?,27?,28?,29+,30?/m0/s1
InChIKeyBYEPMZCZPAZYPS-CZSGAPDTSA-N
MW612.06 g/mol
LogP7.71
Rot. Bonds16

About (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

(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 (PubChem CID 58762158) has the molecular formula C33H65NO5Si2 and a molecular weight of 612.06 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID58762158
Molecular FormulaC33H65NO5Si2
Molecular Weight612.06 g/mol
Exact Mass611.44
IUPAC Name(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
SMILESC=C/C=C\[C@H](C)C(O)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(C)C=O
InChIInChI=1S/C33H65NO5Si2/c1-18-19-20-23(2)28(36)26(5)30(39-41(16,17)33(10,11)12)27(6)31(37)34(13)21-24(3)29(25(4)22-35)38-40(14,15)32(7,8)9/h18-20,22-30,36H,1,21H2,2-17H3/b20-19-/t23-,24-,25?,26?,27?,28?,29+,30?/m0/s1
InChIKeyBYEPMZCZPAZYPS-CZSGAPDTSA-N
XLogP7.71
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.06
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C/C=C\[C@H](C)C(O)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(C)C=O.
What is the InChIKey of (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?
The InChIKey is BYEPMZCZPAZYPS-CZSGAPDTSA-N. The full InChI is InChI=1S/C33H65NO5Si2/c1-18-19-20-23(2)28(36)26(5)30(39-41(16,17)33(10,11)12)27(6)31(37)34(13)21-24(3)29(25(4)22-35)38-40(14,15)32(7,8)9/h18-20,22-30,36H,1,21H2,2-17H3/b20-19-/t23-,24-,25?,26?,27?,28?,29+,30?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 612.06 g/mol, XLogP of 7.71, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 58762158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).