[(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-oxo-10-phenyldec-8-en-3-yl] 2,2-dimethylpropanoate

C28H46O4Si — CID 11612588

IUPAC[(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-oxo-10-phenyldec-8-en-3-yl] 2,2-dimethylpropanoate
SMILESC/C(=C\Cc1ccccc1)CC[C@H](C[C@@H](CC=O)OC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H46O4Si/c1-22(15-17-23-13-11-10-12-14-23)16-18-25(32-33(8,9)28(5,6)7)21-24(19-20-29)31-26(30)27(2,3)4/h10-15,20,24-25H,16-19,21H2,1-9H3/b22-15+/t24-,25-/m1/s1
InChIKeyKSRMRPCYCCASAK-GOVQPZEESA-N
MW474.76 g/mol
LogP7.28
Rot. Bonds12

About [(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-oxo-10-phenyldec-8-en-3-yl] 2,2-dimethylpropanoate

[(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-oxo-10-phenyldec-8-en-3-yl] 2,2-dimethylpropanoate (PubChem CID 11612588) has the molecular formula C28H46O4Si and a molecular weight of 474.76 g/mol. Its IUPAC name is [(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-oxo-10-phenyldec-8-en-3-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-oxo-10-phenyldec-8-en-3-yl] 2,2-dimethylpropanoate
PubChem CID11612588
Molecular FormulaC28H46O4Si
Molecular Weight474.76 g/mol
Exact Mass474.32
IUPAC Name[(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-oxo-10-phenyldec-8-en-3-yl] 2,2-dimethylpropanoate
SMILESC/C(=C\Cc1ccccc1)CC[C@H](C[C@@H](CC=O)OC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H46O4Si/c1-22(15-17-23-13-11-10-12-14-23)16-18-25(32-33(8,9)28(5,6)7)21-24(19-20-29)31-26(30)27(2,3)4/h10-15,20,24-25H,16-19,21H2,1-9H3/b22-15+/t24-,25-/m1/s1
InChIKeyKSRMRPCYCCASAK-GOVQPZEESA-N
XLogP7.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.76
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
CID 101138351
(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal
CID 11419569
[(3S,5R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-formyloxy-1-phenylmethoxytetradecan-5-yl] acetate
CID 23328324
2-[(3E,6E,9E,12R,14S)-12-[tert-butyl(dimethyl)silyl]oxy-14-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-phenylhept-5-enyl]-10-methyl-2-oxo-1-oxacyclotetradeca-3,6,9-trien-4-yl]acetic acid
CID 102579743
methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate
CID 134833844
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
CID 139246891
[(E)-8-(benzenesulfinyl)-6-methyloct-6-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane
CID 10090971
tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane
CID 59479992
tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide
CID 158278224
[(3R,5S,7R,9R)-5,7,9-tris[[tert-butyl(dimethyl)silyl]oxy]hexadec-1-en-3-yl] benzoate
CID 44604460
ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate
CID 101483549
[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutyl] benzoate
CID 11438668

Frequently Asked Questions

What is the IUPAC name of [(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-oxo-10-phenyldec-8-en-3-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-oxo-10-phenyldec-8-en-3-yl] 2,2-dimethylpropanoate (CID 11612588) is [(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-oxo-10-phenyldec-8-en-3-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-oxo-10-phenyldec-8-en-3-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-oxo-10-phenyldec-8-en-3-yl] 2,2-dimethylpropanoate is C/C(=C\Cc1ccccc1)CC[C@H](C[C@@H](CC=O)OC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-oxo-10-phenyldec-8-en-3-yl] 2,2-dimethylpropanoate?
The InChIKey is KSRMRPCYCCASAK-GOVQPZEESA-N. The full InChI is InChI=1S/C28H46O4Si/c1-22(15-17-23-13-11-10-12-14-23)16-18-25(32-33(8,9)28(5,6)7)21-24(19-20-29)31-26(30)27(2,3)4/h10-15,20,24-25H,16-19,21H2,1-9H3/b22-15+/t24-,25-/m1/s1.
What are the key properties of [(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-oxo-10-phenyldec-8-en-3-yl] 2,2-dimethylpropanoate?
[(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-oxo-10-phenyldec-8-en-3-yl] 2,2-dimethylpropanoate has a molecular weight of 474.76 g/mol, XLogP of 7.28, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1-oxo-10-phenyldec-8-en-3-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11612588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).