tert-butyl-dimethyl-[[(3Z,8Z,14E)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]silane

C36H54O3SSi2 — CID 134885297

IUPACtert-butyl-dimethyl-[[(3Z,8Z,14E)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]silane
SMILESCC(C)[Si](O/C1=C/CCC#C/C=C\C#CC(C)(O[Si](C)(C)C(C)(C)C)/C(Sc2ccccc2)=C/CO1)(C(C)C)C(C)C
InChIInChI=1S/C36H54O3SSi2/c1-29(2)42(30(3)4,31(5)6)38-34-25-21-16-14-13-15-17-22-27-36(10,39-41(11,12)35(7,8)9)33(26-28-37-34)40-32-23-19-18-20-24-32/h15,17-20,23-26,29-31H,16,21,28H2,1-12H3/b17-15-,33-26-,34-25+
InChIKeyIJJKOBQJINNOHA-GTDBDOFYSA-N
MW623.06 g/mol
LogP10.85
Rot. Bonds9

About tert-butyl-dimethyl-[[(3Z,8Z,14E)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]silane

tert-butyl-dimethyl-[[(3Z,8Z,14E)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]silane (PubChem CID 134885297) has the molecular formula C36H54O3SSi2 and a molecular weight of 623.06 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(3Z,8Z,14E)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(3Z,8Z,14E)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]silane
PubChem CID134885297
Molecular FormulaC36H54O3SSi2
Molecular Weight623.06 g/mol
Exact Mass622.33
IUPAC Nametert-butyl-dimethyl-[[(3Z,8Z,14E)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]silane
SMILESCC(C)[Si](O/C1=C/CCC#C/C=C\C#CC(C)(O[Si](C)(C)C(C)(C)C)/C(Sc2ccccc2)=C/CO1)(C(C)C)C(C)C
InChIInChI=1S/C36H54O3SSi2/c1-29(2)42(30(3)4,31(5)6)38-34-25-21-16-14-13-15-17-22-27-36(10,39-41(11,12)35(7,8)9)33(26-28-37-34)40-32-23-19-18-20-24-32/h15,17-20,23-26,29-31H,16,21,28H2,1-12H3/b17-15-,33-26-,34-25+
InChIKeyIJJKOBQJINNOHA-GTDBDOFYSA-N
XLogP10.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.06
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[[(3Z,8Z,14E)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]silane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[[(3Z,5R,8Z,12S,14E)-12-(methoxymethoxy)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]-dimethylsilane
CID 10556500
tert-butyl-[[(3Z,5R,8Z,12R,14E)-12-(methoxymethoxy)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]-dimethylsilane
CID 10628345
(2Z,7Z)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-12-[(2-methylpropan-2-yl)oxy]-3-phenylsulfanyldodeca-2,7-dien-5,9,11-triyn-1-ol
CID 10918039
(7Z,12Z)-11-[tert-butyl(dimethyl)silyl]oxy-11-methyl-12-phenylsulfanyl-1-oxacyclotetradeca-7,12-dien-5,9-diyn-2-one
CID 10950475
tert-butyl-dimethyl-[[(3Z,8Z,13E)-5-methyl-4-phenylsulfanyl-14-tri(propan-2-yl)silyloxy-1-oxacyclotetradeca-3,8,13-trien-6,10-diyn-5-yl]oxy]silane
CID 11114717
tert-butyl-[[(3Z,5R,8Z,12R,14Z)-12-(methoxymethoxy)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]-dimethylsilane
CID 11125292
(6Z,11Z)-10-[tert-butyl(dimethyl)silyl]oxy-10-methyl-11-phenylsulfanyl-1-oxacyclotrideca-6,11-dien-4,8-diyn-2-one
CID 11761950
tert-butyl-[[(3Z,5R,8Z,12S,14Z)-12-(methoxymethoxy)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]-dimethylsilane
CID 23230131
[(Z,5R)-9-[tert-butyl(dimethyl)silyl]oxy-6-phenylsulfanyl-1-trimethylsilylnon-6-en-1,3-diyn-5-yl] acetate
CID 49794206

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(3Z,8Z,14E)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(3Z,8Z,14E)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]silane (CID 134885297) is tert-butyl-dimethyl-[[(3Z,8Z,14E)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(3Z,8Z,14E)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(3Z,8Z,14E)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]silane is CC(C)[Si](O/C1=C/CCC#C/C=C\C#CC(C)(O[Si](C)(C)C(C)(C)C)/C(Sc2ccccc2)=C/CO1)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(3Z,8Z,14E)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]silane?
The InChIKey is IJJKOBQJINNOHA-GTDBDOFYSA-N. The full InChI is InChI=1S/C36H54O3SSi2/c1-29(2)42(30(3)4,31(5)6)38-34-25-21-16-14-13-15-17-22-27-36(10,39-41(11,12)35(7,8)9)33(26-28-37-34)40-32-23-19-18-20-24-32/h15,17-20,23-26,29-31H,16,21,28H2,1-12H3/b17-15-,33-26-,34-25+.
What are the key properties of tert-butyl-dimethyl-[[(3Z,8Z,14E)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]silane?
tert-butyl-dimethyl-[[(3Z,8Z,14E)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]silane has a molecular weight of 623.06 g/mol, XLogP of 10.85, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(3Z,8Z,14E)-5-methyl-4-phenylsulfanyl-15-tri(propan-2-yl)silyloxy-1-oxacyclopentadeca-3,8,14-trien-6,10-diyn-5-yl]oxy]silane is sourced from PubChem (CID 134885297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).