1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane

C35H40Br2OSi — CID 19825362

IUPAC1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC(CCCc1ccc(Br)cc1)CCCc1ccc(Br)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H40Br2OSi/c1-35(2,3)39(33-16-6-4-7-17-33,34-18-8-5-9-19-34)38-32(14-10-12-28-20-24-30(36)25-21-28)15-11-13-29-22-26-31(37)27-23-29/h4-9,16-27,32H,10-15H2,1-3H3
InChIKeyKRUKWMBIOPJLAY-UHFFFAOYSA-N
MW664.60 g/mol
LogP9.50
Rot. Bonds12

About 1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane

1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane (PubChem CID 19825362) has the molecular formula C35H40Br2OSi and a molecular weight of 664.60 g/mol. Its IUPAC name is 1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane
PubChem CID19825362
Molecular FormulaC35H40Br2OSi
Molecular Weight664.60 g/mol
Exact Mass662.12
IUPAC Name1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC(CCCc1ccc(Br)cc1)CCCc1ccc(Br)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H40Br2OSi/c1-35(2,3)39(33-16-6-4-7-17-33,34-18-8-5-9-19-34)38-32(14-10-12-28-20-24-30(36)25-21-28)15-11-13-29-22-26-31(37)27-23-29/h4-9,16-27,32H,10-15H2,1-3H3
InChIKeyKRUKWMBIOPJLAY-UHFFFAOYSA-N
XLogP9.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.60
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-[3-[tert-butyl(diphenyl)silyl]oxy-5-[3-[4-(2-hydroxypropan-2-yl)phenyl]propoxy]pentoxy]propyl]phenyl]propan-2-ol
CID 19825331
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile
CID 50901805
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
tert-butyl-[(2Z,7Z)-nona-2,7-dien-5-yl]oxy-diphenylsilane
CID 58139640
3-[4-(bromomethyl)phenyl]propoxy-tert-butyl-diphenylsilane;3-(4-bromophenyl)propanoic acid
CID 162181674
tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane
CID 135013582
[(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15364161
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-6-iodohexanoic acid
CID 134940913
10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
CID 123768020
tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane
CID 11080903
magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide
CID 11125202

Frequently Asked Questions

What is the IUPAC name of 1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane?
The IUPAC name of 1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane (CID 19825362) is 1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane?
The canonical SMILES for 1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC(CCCc1ccc(Br)cc1)CCCc1ccc(Br)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane?
The InChIKey is KRUKWMBIOPJLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40Br2OSi/c1-35(2,3)39(33-16-6-4-7-17-33,34-18-8-5-9-19-34)38-32(14-10-12-28-20-24-30(36)25-21-28)15-11-13-29-22-26-31(37)27-23-29/h4-9,16-27,32H,10-15H2,1-3H3.
What are the key properties of 1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane?
1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane has a molecular weight of 664.60 g/mol, XLogP of 9.50, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 19825362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).