3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol

C58H92O6Si4 — CID 165050985

IUPAC3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol
SMILESCC(C)[Si](Oc1ccc(/C=C/c2cc(O)cc(O[Si](C(C)C)(C(C)C)C(C)C)c2)cc1)(C(C)C)C(C)C.CC[Si](CC)(CC)Oc1ccc(/C=C/c2cc(O)cc(O[Si](CC)(CC)CC)c2)cc1
InChIInChI=1S/C32H52O3Si2.C26H40O3Si2/c1-22(2)36(23(3)4,24(5)6)34-31-17-15-28(16-18-31)13-14-29-19-30(33)21-32(20-29)35-37(25(7)8,26(9)10)27(11)12;1-7-30(8-2,9-3)28-25-17-15-22(16-18-25)13-14-23-19-24(27)21-26(20-23)29-31(10-4,11-5)12-6/h13-27,33H,1-12H3;13-21,27H,7-12H2,1-6H3/b2*14-13+
InChIKeyPQRQUTMLGSJCDH-IGRBIYNPSA-N
MW997.71 g/mol
LogP19.00
Rot. Bonds24

About 3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol

3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol (PubChem CID 165050985) has the molecular formula C58H92O6Si4 and a molecular weight of 997.71 g/mol. Its IUPAC name is 3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol.

Molecular Properties

Compound Name3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol
PubChem CID165050985
Molecular FormulaC58H92O6Si4
Molecular Weight997.71 g/mol
Exact Mass996.60
IUPAC Name3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol
SMILESCC(C)[Si](Oc1ccc(/C=C/c2cc(O)cc(O[Si](C(C)C)(C(C)C)C(C)C)c2)cc1)(C(C)C)C(C)C.CC[Si](CC)(CC)Oc1ccc(/C=C/c2cc(O)cc(O[Si](CC)(CC)CC)c2)cc1
InChIInChI=1S/C32H52O3Si2.C26H40O3Si2/c1-22(2)36(23(3)4,24(5)6)34-31-17-15-28(16-18-31)13-14-29-19-30(33)21-32(20-29)35-37(25(7)8,26(9)10)27(11)12;1-7-30(8-2,9-3)28-25-17-15-22(16-18-25)13-14-23-19-24(27)21-26(20-23)29-31(10-4,11-5)12-6/h13-27,33H,1-12H3;13-21,27H,7-12H2,1-6H3/b2*14-13+
InChIKeyPQRQUTMLGSJCDH-IGRBIYNPSA-N
XLogP19.00
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.71
LogP ≤ 519.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

triethyl-[3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenoxy]silane
CID 153432750
3,5-bis(triethylsilyloxy)phenol
CID 100933791
[4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate
CID 140771666
[4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane
CID 59310555
5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol
CID 57478509
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-propoxyphenol
CID 57478513
5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol
CID 67436297
(3-ethenyl-5-triethylsilyloxyphenoxy)-triethylsilane
CID 139950123
3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol
CID 175345045
O-silyl resveratrol
CID 171364243
[4-[2-(3-decanoyloxy-5-hydroxyphenyl)ethenyl]phenyl] decanoate
CID 68910734

Frequently Asked Questions

What is the IUPAC name of 3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol?
The IUPAC name of 3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol (CID 165050985) is 3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol.
What is the SMILES notation for 3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol?
The canonical SMILES for 3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol is CC(C)[Si](Oc1ccc(/C=C/c2cc(O)cc(O[Si](C(C)C)(C(C)C)C(C)C)c2)cc1)(C(C)C)C(C)C.CC[Si](CC)(CC)Oc1ccc(/C=C/c2cc(O)cc(O[Si](CC)(CC)CC)c2)cc1.
What is the InChIKey of 3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol?
The InChIKey is PQRQUTMLGSJCDH-IGRBIYNPSA-N. The full InChI is InChI=1S/C32H52O3Si2.C26H40O3Si2/c1-22(2)36(23(3)4,24(5)6)34-31-17-15-28(16-18-31)13-14-29-19-30(33)21-32(20-29)35-37(25(7)8,26(9)10)27(11)12;1-7-30(8-2,9-3)28-25-17-15-22(16-18-25)13-14-23-19-24(27)21-26(20-23)29-31(10-4,11-5)12-6/h13-27,33H,1-12H3;13-21,27H,7-12H2,1-6H3/b2*14-13+.
What are the key properties of 3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol?
3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol has a molecular weight of 997.71 g/mol, XLogP of 19.00, 24 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol is sourced from PubChem (CID 165050985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).