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

C31H45BrOSi — CID 19920547

IUPAC[(Z)-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(CC/C=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/b25-14+
InChIKeyQYEOIEFMJUBOJO-AFUMVMLFSA-N
MW541.69 g/mol
LogP9.84
Rot. Bonds7

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

[(Z)-2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane (PubChem CID 19920547) has the molecular formula C31H45BrOSi and a molecular weight of 541.69 g/mol. Its IUPAC name is [(Z)-2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(Z)-2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane
PubChem CID19920547
Molecular FormulaC31H45BrOSi
Molecular Weight541.69 g/mol
Exact Mass540.24
IUPAC Name[(Z)-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(CC/C=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/b25-14+
InChIKeyQYEOIEFMJUBOJO-AFUMVMLFSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(Z)-2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane (CID 19920547) is [(Z)-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 [(Z)-2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(Z)-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(CC/C=C(\CO[Si](C)(C)C(C)(C)C)c3cccc(Br)c3)ccc21.
What is the InChIKey of [(Z)-2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is QYEOIEFMJUBOJO-AFUMVMLFSA-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/b25-14+.
What are the key properties of [(Z)-2-(3-bromophenyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pent-2-enoxy]-tert-butyl-dimethylsilane?
[(Z)-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 [(Z)-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 19920547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).