2-(bromomethyl)hexa-4,5-dienoxy-tert-butyl-diphenylsilane

C23H29BrOSi — CID 154718450

IUPAC2-(bromomethyl)hexa-4,5-dienoxy-tert-butyl-diphenylsilane
SMILESC=C=CCC(CBr)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H29BrOSi/c1-5-6-13-20(18-24)19-25-26(23(2,3)4,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h6-12,14-17,20H,1,13,18-19H2,2-4H3
InChIKeyXOBJXUNNMDTKBH-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.31
Rot. Bonds8

About 2-(bromomethyl)hexa-4,5-dienoxy-tert-butyl-diphenylsilane

2-(bromomethyl)hexa-4,5-dienoxy-tert-butyl-diphenylsilane (PubChem CID 154718450) has the molecular formula C23H29BrOSi and a molecular weight of 429.47 g/mol. Its IUPAC name is 2-(bromomethyl)hexa-4,5-dienoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name2-(bromomethyl)hexa-4,5-dienoxy-tert-butyl-diphenylsilane
PubChem CID154718450
Molecular FormulaC23H29BrOSi
Molecular Weight429.47 g/mol
Exact Mass428.12
IUPAC Name2-(bromomethyl)hexa-4,5-dienoxy-tert-butyl-diphenylsilane
SMILESC=C=CCC(CBr)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H29BrOSi/c1-5-6-13-20(18-24)19-25-26(23(2,3)4,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h6-12,14-17,20H,1,13,18-19H2,2-4H3
InChIKeyXOBJXUNNMDTKBH-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol
CID 160880353
[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol
CID 21062594
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-1-en-1-one
CID 87903767
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
CID 135070685
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium
CID 71726280
zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide
CID 134886876
tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane
CID 10439261
8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one
CID 142754739

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)hexa-4,5-dienoxy-tert-butyl-diphenylsilane?
The IUPAC name of 2-(bromomethyl)hexa-4,5-dienoxy-tert-butyl-diphenylsilane (CID 154718450) is 2-(bromomethyl)hexa-4,5-dienoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 2-(bromomethyl)hexa-4,5-dienoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 2-(bromomethyl)hexa-4,5-dienoxy-tert-butyl-diphenylsilane is C=C=CCC(CBr)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-(bromomethyl)hexa-4,5-dienoxy-tert-butyl-diphenylsilane?
The InChIKey is XOBJXUNNMDTKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrOSi/c1-5-6-13-20(18-24)19-25-26(23(2,3)4,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h6-12,14-17,20H,1,13,18-19H2,2-4H3.
What are the key properties of 2-(bromomethyl)hexa-4,5-dienoxy-tert-butyl-diphenylsilane?
2-(bromomethyl)hexa-4,5-dienoxy-tert-butyl-diphenylsilane has a molecular weight of 429.47 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)hexa-4,5-dienoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 154718450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).