tribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane

C20H31Br3OSi — CID 57086062

IUPACtribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane
SMILESCCCCCC1CCC(c2ccc(OCCC[Si](Br)(Br)Br)cc2)CC1
InChIInChI=1S/C20H31Br3OSi/c1-2-3-4-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)24-15-5-16-25(21,22)23/h11-14,17-18H,2-10,15-16H2,1H3
InChIKeyCBNDVTSXYLMONF-UHFFFAOYSA-N
MW555.27 g/mol
LogP8.43
Rot. Bonds10

About tribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane

tribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane (PubChem CID 57086062) has the molecular formula C20H31Br3OSi and a molecular weight of 555.27 g/mol. Its IUPAC name is tribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane.

Molecular Properties

Compound Nametribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane
PubChem CID57086062
Molecular FormulaC20H31Br3OSi
Molecular Weight555.27 g/mol
Exact Mass551.97
IUPAC Nametribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane
SMILESCCCCCC1CCC(c2ccc(OCCC[Si](Br)(Br)Br)cc2)CC1
InChIInChI=1S/C20H31Br3OSi/c1-2-3-4-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)24-15-5-16-25(21,22)23/h11-14,17-18H,2-10,15-16H2,1H3
InChIKeyCBNDVTSXYLMONF-UHFFFAOYSA-N
XLogP8.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.27
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
trichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane
CID 57282253
tribromo-[3-[4-(4-methylcyclohexyl)phenoxy]propyl]silane
CID 18612110
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136
1-butoxy-4-[[4-(4-pentylcyclohexyl)phenyl]methoxy]benzene
CID 54111085
1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene
CID 59265311

Frequently Asked Questions

What is the IUPAC name of tribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane?
The IUPAC name of tribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane (CID 57086062) is tribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane.
What is the SMILES notation for tribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane?
The canonical SMILES for tribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane is CCCCCC1CCC(c2ccc(OCCC[Si](Br)(Br)Br)cc2)CC1.
What is the InChIKey of tribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane?
The InChIKey is CBNDVTSXYLMONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31Br3OSi/c1-2-3-4-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)24-15-5-16-25(21,22)23/h11-14,17-18H,2-10,15-16H2,1H3.
What are the key properties of tribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane?
tribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane has a molecular weight of 555.27 g/mol, XLogP of 8.43, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane is sourced from PubChem (CID 57086062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).