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

C31H45BrOSi — CID 54253173

IUPAC[2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane
SMILESCC1(C)CCC(C)(C)c2cc(CCC=C(CO[Si](C)(C)C(C)(C)C)c3cccc(Br)c3)ccc21
InChIInChI=1S/C31H45BrOSi/c1-29(2,3)34(8,9)33-22-25(24-13-11-15-26(32)21-24)14-10-12-23-16-17-27-28(20-23)31(6,7)19-18-30(27,4)5/h11,13-17,20-21H,10,12,18-19,22H2,1-9H3
InChIKeyQYEOIEFMJUBOJO-UHFFFAOYSA-N
MW541.69 g/mol
LogP9.84
Rot. Bonds7

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

[2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane (PubChem CID 54253173) has the molecular formula C31H45BrOSi and a molecular weight of 541.69 g/mol. Its IUPAC name is [2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane
PubChem CID54253173
Molecular FormulaC31H45BrOSi
Molecular Weight541.69 g/mol
Exact Mass540.24
IUPAC Name[2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane
SMILESCC1(C)CCC(C)(C)c2cc(CCC=C(CO[Si](C)(C)C(C)(C)C)c3cccc(Br)c3)ccc21
InChIInChI=1S/C31H45BrOSi/c1-29(2,3)34(8,9)33-22-25(24-13-11-15-26(32)21-24)14-10-12-23-16-17-27-28(20-23)31(6,7)19-18-30(27,4)5/h11,13-17,20-21H,10,12,18-19,22H2,1-9H3
InChIKeyQYEOIEFMJUBOJO-UHFFFAOYSA-N
XLogP9.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.69
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane (CID 54253173) is [2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane is CC1(C)CCC(C)(C)c2cc(CCC=C(CO[Si](C)(C)C(C)(C)C)c3cccc(Br)c3)ccc21.
What is the InChIKey of [2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is QYEOIEFMJUBOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45BrOSi/c1-29(2,3)34(8,9)33-22-25(24-13-11-15-26(32)21-24)14-10-12-23-16-17-27-28(20-23)31(6,7)19-18-30(27,4)5/h11,13-17,20-21H,10,12,18-19,22H2,1-9H3.
What are the key properties of [2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane?
[2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 541.69 g/mol, XLogP of 9.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 54253173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).