[(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane

C48H70O5Si2 — CID 175900493

IUPAC[(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC/C=C\C[C@@H](/C=C/C=C\C=C\[C@H](CCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C48H70O5Si2/c1-14-15-19-26-44(52-54(10,11)46(2,3)4)27-22-16-17-23-28-45(53-55(12,13)47(5,6)7)37-38-51-48(39-24-20-18-21-25-39,40-29-33-42(49-8)34-30-40)41-31-35-43(50-9)36-32-41/h15-25,27-36,44-45H,14,26,37-38H2,1-13H3/b17-16-,19-15-,27-22+,28-23+/t44-,45+/m0/s1
InChIKeySMVHPUVADXJXER-JTMUJAQCSA-N
MW783.26 g/mol
LogP13.21
Rot. Bonds20

About [(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane

[(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 175900493) has the molecular formula C48H70O5Si2 and a molecular weight of 783.26 g/mol. Its IUPAC name is [(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID175900493
Molecular FormulaC48H70O5Si2
Molecular Weight783.26 g/mol
Exact Mass782.48
IUPAC Name[(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC/C=C\C[C@@H](/C=C/C=C\C=C\[C@H](CCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C48H70O5Si2/c1-14-15-19-26-44(52-54(10,11)46(2,3)4)27-22-16-17-23-28-45(53-55(12,13)47(5,6)7)37-38-51-48(39-24-20-18-21-25-39,40-29-33-42(49-8)34-30-40)41-31-35-43(50-9)36-32-41/h15-25,27-36,44-45H,14,26,37-38H2,1-13H3/b17-16-,19-15-,27-22+,28-23+/t44-,45+/m0/s1
InChIKeySMVHPUVADXJXER-JTMUJAQCSA-N
XLogP13.21
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.26
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,4E,6E)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-7-chlorohepta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane
CID 169074623
[(2E,4Z,8Z,11Z)-1-(1,3-benzothiazol-2-ylsulfonyl)tetradeca-2,4,8,11-tetraen-6-yl]oxy-tert-butyl-dimethylsilane
CID 102518306
(E,5S)-7-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-6-en-3-ol
CID 102018787
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-trityloxyhex-2-en-1-ol
CID 135015770
1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
CID 143649283
1-methoxy-4-[(4-methoxyphenyl)-[(2S)-2-methylbutoxy]-phenylmethyl]benzene
CID 166649952
(E)-1-[bis(4-methoxyphenyl)-phenylmethoxy]icos-11-en-3-ol
CID 68745223
3-[[10-[bis(4-methoxyphenyl)-phenylmethoxy]-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]decoxy]-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 170904788
[(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane
CID 59381468

Frequently Asked Questions

What is the IUPAC name of [(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane (CID 175900493) is [(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane is CC/C=C\C[C@@H](/C=C/C=C\C=C\[C@H](CCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is SMVHPUVADXJXER-JTMUJAQCSA-N. The full InChI is InChI=1S/C48H70O5Si2/c1-14-15-19-26-44(52-54(10,11)46(2,3)4)27-22-16-17-23-28-45(53-55(12,13)47(5,6)7)37-38-51-48(39-24-20-18-21-25-39,40-29-33-42(49-8)34-30-40)41-31-35-43(50-9)36-32-41/h15-25,27-36,44-45H,14,26,37-38H2,1-13H3/b17-16-,19-15-,27-22+,28-23+/t44-,45+/m0/s1.
What are the key properties of [(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane?
[(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 783.26 g/mol, XLogP of 13.21, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4E,6Z,8E,10S,12Z)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-10-[tert-butyl(dimethyl)silyl]oxypentadeca-4,6,8,12-tetraen-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 175900493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).