4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenol

C32H52O3Si2 — CID 140771669

IUPAC4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenol
SMILESCC(C)[Si](Oc1cc(/C=C/c2ccc(O)cc2)cc(O[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C
InChIInChI=1S/C32H52O3Si2/c1-22(2)36(23(3)4,24(5)6)34-31-19-29(14-13-28-15-17-30(33)18-16-28)20-32(21-31)35-37(25(7)8,26(9)10)27(11)12/h13-27,33H,1-12H3/b14-13+
InChIKeyKPOPCURIGJQUPK-BUHFOSPRSA-N
MW540.94 g/mol
LogP10.67
Rot. Bonds12

About 4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenol

4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenol (PubChem CID 140771669) has the molecular formula C32H52O3Si2 and a molecular weight of 540.94 g/mol. Its IUPAC name is 4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenol
PubChem CID140771669
Molecular FormulaC32H52O3Si2
Molecular Weight540.94 g/mol
Exact Mass540.35
IUPAC Name4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenol
SMILESCC(C)[Si](Oc1cc(/C=C/c2ccc(O)cc2)cc(O[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C
InChIInChI=1S/C32H52O3Si2/c1-22(2)36(23(3)4,24(5)6)34-31-19-29(14-13-28-15-17-30(33)18-16-28)20-32(21-31)35-37(25(7)8,26(9)10)27(11)12/h13-27,33H,1-12H3/b14-13+
InChIKeyKPOPCURIGJQUPK-BUHFOSPRSA-N
XLogP10.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.94
LogP ≤ 510.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenol (CID 140771669) is 4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenol is CC(C)[Si](Oc1cc(/C=C/c2ccc(O)cc2)cc(O[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C.
What is the InChIKey of 4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenol?
The InChIKey is KPOPCURIGJQUPK-BUHFOSPRSA-N. The full InChI is InChI=1S/C32H52O3Si2/c1-22(2)36(23(3)4,24(5)6)34-31-19-29(14-13-28-15-17-30(33)18-16-28)20-32(21-31)35-37(25(7)8,26(9)10)27(11)12/h13-27,33H,1-12H3/b14-13+.
What are the key properties of 4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenol?
4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenol has a molecular weight of 540.94 g/mol, XLogP of 10.67, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenol is sourced from PubChem (CID 140771669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).