(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-one

C31H64O4Si2 — CID 58822548

IUPAC(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-one
SMILESCCC(=O)/C=C\C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(C)OC
InChIInChI=1S/C31H64O4Si2/c1-18-27(32)20-19-22(2)28(34-36(14,15)30(7,8)9)23(3)21-24(4)29(25(5)26(6)33-13)35-37(16,17)31(10,11)12/h19-20,22-26,28-29H,18,21H2,1-17H3/b20-19-
InChIKeyCUQULZBYKRGBLD-VXPUYCOJSA-N
MW557.02 g/mol
LogP9.27
Rot. Bonds15

About (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-one

(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-one (PubChem CID 58822548) has the molecular formula C31H64O4Si2 and a molecular weight of 557.02 g/mol. Its IUPAC name is (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-one.

Molecular Properties

Compound Name(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-one
PubChem CID58822548
Molecular FormulaC31H64O4Si2
Molecular Weight557.02 g/mol
Exact Mass556.43
IUPAC Name(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-one
SMILESCCC(=O)/C=C\C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(C)OC
InChIInChI=1S/C31H64O4Si2/c1-18-27(32)20-19-22(2)28(34-36(14,15)30(7,8)9)23(3)21-24(4)29(25(5)26(6)33-13)35-37(16,17)31(10,11)12/h19-20,22-26,28-29H,18,21H2,1-17H3/b20-19-
InChIKeyCUQULZBYKRGBLD-VXPUYCOJSA-N
XLogP9.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.02
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E,5E,7S,8S,9R,10S,11R)-10,12-bis((tert-butyldimethylsilyl)oxy)-8-hydroxy-7,9,11-trimethyldodeca-3,5-dien-2-one
CID 145997846
(Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enal
CID 58762098
methyl (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-enoate
CID 58762130
tert-butyl-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethylundec-7-enoxy]-dimethylsilane
CID 58822516
(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-6,8,10,12-tetramethyltetradec-4-en-3-one
CID 58822542
(4R,5S,6E,9E,12R,15S)-4,12,16-tributoxy-1-[tert-butyl(dimethyl)silyl]oxy-5,15-dimethylhexadeca-6,9-dien-8-one
CID 89367112
1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one;(E)-11-[tert-butyl(dimethyl)silyl]oxy-9-methylundec-3-ene-2,8-dione
CID 160148812
(Z)-7-[[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]methyl]-3-ethylnon-5-ene-2,4-dione
CID 173888318
(E,4R,5R,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enal
CID 10895253
methyl (2Z,4R,5R,7R,8R,9R,10S,12E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-9-methoxy-8,10-dimethyltetradeca-2,12-dienoate
CID 10995492
(E,4R,5S,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-5-trimethylsilyloxydec-2-enal
CID 11441774
(Z,4S,5S,6S,7S,9R)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethyl-5-trimethylsilyloxydec-2-enal
CID 49836447

Frequently Asked Questions

What is the IUPAC name of (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-one?
The IUPAC name of (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-one (CID 58822548) is (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-one.
What is the SMILES notation for (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-one?
The canonical SMILES for (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-one is CCC(=O)/C=C\C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(C)OC.
What is the InChIKey of (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-one?
The InChIKey is CUQULZBYKRGBLD-VXPUYCOJSA-N. The full InChI is InChI=1S/C31H64O4Si2/c1-18-27(32)20-19-22(2)28(34-36(14,15)30(7,8)9)23(3)21-24(4)29(25(5)26(6)33-13)35-37(16,17)31(10,11)12/h19-20,22-26,28-29H,18,21H2,1-17H3/b20-19-.
What are the key properties of (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-one?
(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-one has a molecular weight of 557.02 g/mol, XLogP of 9.27, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-one is sourced from PubChem (CID 58822548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).