(8S,10S,11E,13R,14S,15E)-14-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-16-trimethylsilyl-8-tri(propan-2-yl)silyloxyhexadeca-1,11,15-trien-4-one

C36H72O3Si3 — CID 71489750

IUPAC(8S,10S,11E,13R,14S,15E)-14-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-16-trimethylsilyl-8-tri(propan-2-yl)silyloxyhexadeca-1,11,15-trien-4-one
SMILESC=CCC(=O)CCC[C@@H](C[C@H](C)/C=C/[C@@H](C)[C@@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C36H72O3Si3/c1-18-20-33(37)21-19-22-34(38-42(28(2)3,29(4)5)30(6)7)27-31(8)23-24-32(9)35(25-26-40(13,14)15)39-41(16,17)36(10,11)12/h18,23-26,28-32,34-35H,1,19-22,27H2,2-17H3/b24-23+,26-25+/t31-,32-,34+,35-/m1/s1
InChIKeyZXRLIRBXNFWVOY-QQTNNUESSA-N
MW637.23 g/mol
LogP11.91
Rot. Bonds20

About (8S,10S,11E,13R,14S,15E)-14-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-16-trimethylsilyl-8-tri(propan-2-yl)silyloxyhexadeca-1,11,15-trien-4-one

(8S,10S,11E,13R,14S,15E)-14-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-16-trimethylsilyl-8-tri(propan-2-yl)silyloxyhexadeca-1,11,15-trien-4-one (PubChem CID 71489750) has the molecular formula C36H72O3Si3 and a molecular weight of 637.23 g/mol. Its IUPAC name is (8S,10S,11E,13R,14S,15E)-14-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-16-trimethylsilyl-8-tri(propan-2-yl)silyloxyhexadeca-1,11,15-trien-4-one.

Molecular Properties

Compound Name(8S,10S,11E,13R,14S,15E)-14-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-16-trimethylsilyl-8-tri(propan-2-yl)silyloxyhexadeca-1,11,15-trien-4-one
PubChem CID71489750
Molecular FormulaC36H72O3Si3
Molecular Weight637.23 g/mol
Exact Mass636.48
IUPAC Name(8S,10S,11E,13R,14S,15E)-14-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-16-trimethylsilyl-8-tri(propan-2-yl)silyloxyhexadeca-1,11,15-trien-4-one
SMILESC=CCC(=O)CCC[C@@H](C[C@H](C)/C=C/[C@@H](C)[C@@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C36H72O3Si3/c1-18-20-33(37)21-19-22-34(38-42(28(2)3,29(4)5)30(6)7)27-31(8)23-24-32(9)35(25-26-40(13,14)15)39-41(16,17)36(10,11)12/h18,23-26,28-32,34-35H,1,19-22,27H2,2-17H3/b24-23+,26-25+/t31-,32-,34+,35-/m1/s1
InChIKeyZXRLIRBXNFWVOY-QQTNNUESSA-N
XLogP11.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.23
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8S,10S,11E,13R,14S,15E)-14-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-16-trimethylsilyl-8-tri(propan-2-yl)silyloxyhexadeca-1,11,15-trien-4-one?
The IUPAC name of (8S,10S,11E,13R,14S,15E)-14-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-16-trimethylsilyl-8-tri(propan-2-yl)silyloxyhexadeca-1,11,15-trien-4-one (CID 71489750) is (8S,10S,11E,13R,14S,15E)-14-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-16-trimethylsilyl-8-tri(propan-2-yl)silyloxyhexadeca-1,11,15-trien-4-one.
What is the SMILES notation for (8S,10S,11E,13R,14S,15E)-14-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-16-trimethylsilyl-8-tri(propan-2-yl)silyloxyhexadeca-1,11,15-trien-4-one?
The canonical SMILES for (8S,10S,11E,13R,14S,15E)-14-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-16-trimethylsilyl-8-tri(propan-2-yl)silyloxyhexadeca-1,11,15-trien-4-one is C=CCC(=O)CCC[C@@H](C[C@H](C)/C=C/[C@@H](C)[C@@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (8S,10S,11E,13R,14S,15E)-14-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-16-trimethylsilyl-8-tri(propan-2-yl)silyloxyhexadeca-1,11,15-trien-4-one?
The InChIKey is ZXRLIRBXNFWVOY-QQTNNUESSA-N. The full InChI is InChI=1S/C36H72O3Si3/c1-18-20-33(37)21-19-22-34(38-42(28(2)3,29(4)5)30(6)7)27-31(8)23-24-32(9)35(25-26-40(13,14)15)39-41(16,17)36(10,11)12/h18,23-26,28-32,34-35H,1,19-22,27H2,2-17H3/b24-23+,26-25+/t31-,32-,34+,35-/m1/s1.
What are the key properties of (8S,10S,11E,13R,14S,15E)-14-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-16-trimethylsilyl-8-tri(propan-2-yl)silyloxyhexadeca-1,11,15-trien-4-one?
(8S,10S,11E,13R,14S,15E)-14-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-16-trimethylsilyl-8-tri(propan-2-yl)silyloxyhexadeca-1,11,15-trien-4-one has a molecular weight of 637.23 g/mol, XLogP of 11.91, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,10S,11E,13R,14S,15E)-14-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-16-trimethylsilyl-8-tri(propan-2-yl)silyloxyhexadeca-1,11,15-trien-4-one is sourced from PubChem (CID 71489750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).