[6-bromo-5-(2-bromo-3,6-dimethylphenyl)hexoxy]-tri(propan-2-yl)silane

C23H40Br2OSi — CID 135051220

IUPAC[6-bromo-5-(2-bromo-3,6-dimethylphenyl)hexoxy]-tri(propan-2-yl)silane
SMILESCc1ccc(C)c(C(CBr)CCCCO[Si](C(C)C)(C(C)C)C(C)C)c1Br
InChIInChI=1S/C23H40Br2OSi/c1-16(2)27(17(3)4,18(5)6)26-14-10-9-11-21(15-24)22-19(7)12-13-20(8)23(22)25/h12-13,16-18,21H,9-11,14-15H2,1-8H3
InChIKeyQOQSTMHPDIFAOQ-UHFFFAOYSA-N
MW520.47 g/mol
LogP8.91
Rot. Bonds11

About [6-bromo-5-(2-bromo-3,6-dimethylphenyl)hexoxy]-tri(propan-2-yl)silane

[6-bromo-5-(2-bromo-3,6-dimethylphenyl)hexoxy]-tri(propan-2-yl)silane (PubChem CID 135051220) has the molecular formula C23H40Br2OSi and a molecular weight of 520.47 g/mol. Its IUPAC name is [6-bromo-5-(2-bromo-3,6-dimethylphenyl)hexoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[6-bromo-5-(2-bromo-3,6-dimethylphenyl)hexoxy]-tri(propan-2-yl)silane
PubChem CID135051220
Molecular FormulaC23H40Br2OSi
Molecular Weight520.47 g/mol
Exact Mass518.12
IUPAC Name[6-bromo-5-(2-bromo-3,6-dimethylphenyl)hexoxy]-tri(propan-2-yl)silane
SMILESCc1ccc(C)c(C(CBr)CCCCO[Si](C(C)C)(C(C)C)C(C)C)c1Br
InChIInChI=1S/C23H40Br2OSi/c1-16(2)27(17(3)4,18(5)6)26-14-10-9-11-21(15-24)22-19(7)12-13-20(8)23(22)25/h12-13,16-18,21H,9-11,14-15H2,1-8H3
InChIKeyQOQSTMHPDIFAOQ-UHFFFAOYSA-N
XLogP8.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.47
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-5-(2-bromo-3,6-dimethylphenyl)hexoxy]-tri(propan-2-yl)silane?
The IUPAC name of [6-bromo-5-(2-bromo-3,6-dimethylphenyl)hexoxy]-tri(propan-2-yl)silane (CID 135051220) is [6-bromo-5-(2-bromo-3,6-dimethylphenyl)hexoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [6-bromo-5-(2-bromo-3,6-dimethylphenyl)hexoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [6-bromo-5-(2-bromo-3,6-dimethylphenyl)hexoxy]-tri(propan-2-yl)silane is Cc1ccc(C)c(C(CBr)CCCCO[Si](C(C)C)(C(C)C)C(C)C)c1Br.
What is the InChIKey of [6-bromo-5-(2-bromo-3,6-dimethylphenyl)hexoxy]-tri(propan-2-yl)silane?
The InChIKey is QOQSTMHPDIFAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40Br2OSi/c1-16(2)27(17(3)4,18(5)6)26-14-10-9-11-21(15-24)22-19(7)12-13-20(8)23(22)25/h12-13,16-18,21H,9-11,14-15H2,1-8H3.
What are the key properties of [6-bromo-5-(2-bromo-3,6-dimethylphenyl)hexoxy]-tri(propan-2-yl)silane?
[6-bromo-5-(2-bromo-3,6-dimethylphenyl)hexoxy]-tri(propan-2-yl)silane has a molecular weight of 520.47 g/mol, XLogP of 8.91, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-5-(2-bromo-3,6-dimethylphenyl)hexoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 135051220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).