4-bromo-2-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol

C34H39BrO3Si — CID 23862038

IUPAC4-bromo-2-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol
SMILESC=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1=CCOC1CC/C(C)=C/c1cc(Br)ccc1O
InChIInChI=1S/C34H39BrO3Si/c1-25(22-27-23-28(35)17-18-32(27)36)16-19-33-31(20-21-37-33)26(2)24-38-39(34(3,4)5,29-12-8-6-9-13-29)30-14-10-7-11-15-30/h6-15,17-18,20,22-23,33,36H,2,16,19,21,24H2,1,3-5H3/b25-22+
InChIKeyCTAUSZCVCYYDGT-YYDJUVGSSA-N
MW603.67 g/mol
LogP7.80
Rot. Bonds10

About 4-bromo-2-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol

4-bromo-2-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol (PubChem CID 23862038) has the molecular formula C34H39BrO3Si and a molecular weight of 603.67 g/mol. Its IUPAC name is 4-bromo-2-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol
PubChem CID23862038
Molecular FormulaC34H39BrO3Si
Molecular Weight603.67 g/mol
Exact Mass602.19
IUPAC Name4-bromo-2-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol
SMILESC=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1=CCOC1CC/C(C)=C/c1cc(Br)ccc1O
InChIInChI=1S/C34H39BrO3Si/c1-25(22-27-23-28(35)17-18-32(27)36)16-19-33-31(20-21-37-33)26(2)24-38-39(34(3,4)5,29-12-8-6-9-13-29)30-14-10-7-11-15-30/h6-15,17-18,20,22-23,33,36H,2,16,19,21,24H2,1,3-5H3/b25-22+
InChIKeyCTAUSZCVCYYDGT-YYDJUVGSSA-N
XLogP7.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.67
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol
CID 23728259
4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-iodo-6-methoxyphenol
CID 23775769
4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-ethylbut-1-enyl]-3-chlorophenol
CID 23746621
(3R,5aR,8aS,8bR)-3-[(E)-4-(5-bromo-2-hydroxyphenyl)-3-methylbut-3-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-phenyl-1,3,5,5a,8a,8b-hexahydrofuro[3,4-e]isoindole-6,8-dione
CID 23747538
(3R,5aR,8aS,8bR)-3-[(E)-4-(5-bromo-2-hydroxyphenyl)-3-methylbut-3-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-propyl-1,3,5,5a,8a,8b-hexahydrofuro[3,4-e]isoindole-6,8-dione
CID 23834577
4-[(Z)-4-[5-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2-hydroxy-3,6-dihydrooxaborinin-6-yl]-2-pyridin-2-ylbut-1-enyl]-2,6-dimethylphenol
CID 135670922
2-[(E)-4-[2-hydroxy-5-(3-methoxyprop-1-en-2-yl)-3,6-dihydrooxaborinin-6-yl]-2-methylbut-1-enyl]phenol
CID 23861973
3-chloro-4-[(E)-2-[2-[3-(3-phenoxyprop-1-en-2-yl)-2,5-dihydrofuran-2-yl]ethyl]pent-1-enyl]phenol
CID 23775761
4-[(E)-2-methyl-4-(3-pent-1-en-2-yl-2,5-dihydrofuran-2-yl)but-1-enyl]phenol
CID 23804832
(4R,6aR,9aS,9bR)-4-[(3E)-3-[(5-bromo-2-hydroxyphenyl)methylidene]pentyl]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-hydroxy-8-propyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione
CID 23805200
2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]prop-2-enoxy-tert-butyl-diphenylsilane
CID 134903833
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol (CID 23862038) is 4-bromo-2-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol is C=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1=CCOC1CC/C(C)=C/c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol?
The InChIKey is CTAUSZCVCYYDGT-YYDJUVGSSA-N. The full InChI is InChI=1S/C34H39BrO3Si/c1-25(22-27-23-28(35)17-18-32(27)36)16-19-33-31(20-21-37-33)26(2)24-38-39(34(3,4)5,29-12-8-6-9-13-29)30-14-10-7-11-15-30/h6-15,17-18,20,22-23,33,36H,2,16,19,21,24H2,1,3-5H3/b25-22+.
What are the key properties of 4-bromo-2-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol?
4-bromo-2-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol has a molecular weight of 603.67 g/mol, XLogP of 7.80, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol is sourced from PubChem (CID 23862038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).