tert-butyl-[4-[(E)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-3-en-3-yl]phenoxy]-dimethylsilane

C30H48O2Si2 — CID 91745827

IUPACtert-butyl-[4-[(E)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-3-en-3-yl]phenoxy]-dimethylsilane
SMILESCC/C(=C(/CC)c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C30H48O2Si2/c1-13-27(23-15-19-25(20-16-23)31-33(9,10)29(3,4)5)28(14-2)24-17-21-26(22-18-24)32-34(11,12)30(6,7)8/h15-22H,13-14H2,1-12H3/b28-27+
InChIKeyNRFANCKTHNLRHQ-BYYHNAKLSA-N
MW496.88 g/mol
LogP10.19
Rot. Bonds8

About tert-butyl-[4-[(E)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-3-en-3-yl]phenoxy]-dimethylsilane

tert-butyl-[4-[(E)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-3-en-3-yl]phenoxy]-dimethylsilane (PubChem CID 91745827) has the molecular formula C30H48O2Si2 and a molecular weight of 496.88 g/mol. Its IUPAC name is tert-butyl-[4-[(E)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-3-en-3-yl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[(E)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-3-en-3-yl]phenoxy]-dimethylsilane
PubChem CID91745827
Molecular FormulaC30H48O2Si2
Molecular Weight496.88 g/mol
Exact Mass496.32
IUPAC Nametert-butyl-[4-[(E)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-3-en-3-yl]phenoxy]-dimethylsilane
SMILESCC/C(=C(/CC)c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C30H48O2Si2/c1-13-27(23-15-19-25(20-16-23)31-33(9,10)29(3,4)5)28(14-2)24-17-21-26(22-18-24)32-34(11,12)30(6,7)8/h15-22H,13-14H2,1-12H3/b28-27+
InChIKeyNRFANCKTHNLRHQ-BYYHNAKLSA-N
XLogP10.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.88
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-[4-[(E)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-3-en-3-yl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[(E)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-3-en-3-yl]phenoxy]-dimethylsilane (CID 91745827) is tert-butyl-[4-[(E)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-3-en-3-yl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[(E)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-3-en-3-yl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[(E)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-3-en-3-yl]phenoxy]-dimethylsilane is CC/C(=C(/CC)c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[4-[(E)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-3-en-3-yl]phenoxy]-dimethylsilane?
The InChIKey is NRFANCKTHNLRHQ-BYYHNAKLSA-N. The full InChI is InChI=1S/C30H48O2Si2/c1-13-27(23-15-19-25(20-16-23)31-33(9,10)29(3,4)5)28(14-2)24-17-21-26(22-18-24)32-34(11,12)30(6,7)8/h15-22H,13-14H2,1-12H3/b28-27+.
What are the key properties of tert-butyl-[4-[(E)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-3-en-3-yl]phenoxy]-dimethylsilane?
tert-butyl-[4-[(E)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-3-en-3-yl]phenoxy]-dimethylsilane has a molecular weight of 496.88 g/mol, XLogP of 10.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[(E)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-3-en-3-yl]phenoxy]-dimethylsilane is sourced from PubChem (CID 91745827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).