[(Z)-2-(3-bromophenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane

C29H41BrOSi — CID 19920678

IUPAC[(Z)-2-(3-bromophenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane
SMILESCC1(C)CCC(C)(C)c2cc(/C=C(\CO[Si](C)(C)C(C)(C)C)c3cccc(Br)c3)ccc21
InChIInChI=1S/C29H41BrOSi/c1-27(2,3)32(8,9)31-20-23(22-11-10-12-24(30)19-22)17-21-13-14-25-26(18-21)29(6,7)16-15-28(25,4)5/h10-14,17-19H,15-16,20H2,1-9H3/b23-17+
InChIKeyLZMGQSGOBMHXMK-HAVVHWLPSA-N
MW513.64 g/mol
LogP9.36
Rot. Bonds5

About [(Z)-2-(3-bromophenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane

[(Z)-2-(3-bromophenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane (PubChem CID 19920678) has the molecular formula C29H41BrOSi and a molecular weight of 513.64 g/mol. Its IUPAC name is [(Z)-2-(3-bromophenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(Z)-2-(3-bromophenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane
PubChem CID19920678
Molecular FormulaC29H41BrOSi
Molecular Weight513.64 g/mol
Exact Mass512.21
IUPAC Name[(Z)-2-(3-bromophenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane
SMILESCC1(C)CCC(C)(C)c2cc(/C=C(\CO[Si](C)(C)C(C)(C)C)c3cccc(Br)c3)ccc21
InChIInChI=1S/C29H41BrOSi/c1-27(2,3)32(8,9)31-20-23(22-11-10-12-24(30)19-22)17-21-13-14-25-26(18-21)29(6,7)16-15-28(25,4)5/h10-14,17-19H,15-16,20H2,1-9H3/b23-17+
InChIKeyLZMGQSGOBMHXMK-HAVVHWLPSA-N
XLogP9.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(Z)-2-(3-bromophenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(Z)-2-(3-bromophenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane (CID 19920678) is [(Z)-2-(3-bromophenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(Z)-2-(3-bromophenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(Z)-2-(3-bromophenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane is CC1(C)CCC(C)(C)c2cc(/C=C(\CO[Si](C)(C)C(C)(C)C)c3cccc(Br)c3)ccc21.
What is the InChIKey of [(Z)-2-(3-bromophenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is LZMGQSGOBMHXMK-HAVVHWLPSA-N. The full InChI is InChI=1S/C29H41BrOSi/c1-27(2,3)32(8,9)31-20-23(22-11-10-12-24(30)19-22)17-21-13-14-25-26(18-21)29(6,7)16-15-28(25,4)5/h10-14,17-19H,15-16,20H2,1-9H3/b23-17+.
What are the key properties of [(Z)-2-(3-bromophenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane?
[(Z)-2-(3-bromophenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 513.64 g/mol, XLogP of 9.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(3-bromophenyl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 19920678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).