tribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane

C17H25Br3OSi — CID 18612118

IUPACtribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane
SMILESCCc1ccc(C2CCC(OCCC[Si](Br)(Br)Br)CC2)cc1
InChIInChI=1S/C17H25Br3OSi/c1-2-14-4-6-15(7-5-14)16-8-10-17(11-9-16)21-12-3-13-22(18,19)20/h4-7,16-17H,2-3,8-13H2,1H3
InChIKeyIVNNPQPEQZKVLR-UHFFFAOYSA-N
MW513.18 g/mol
LogP6.81
Rot. Bonds7

About tribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane

tribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane (PubChem CID 18612118) has the molecular formula C17H25Br3OSi and a molecular weight of 513.18 g/mol. Its IUPAC name is tribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane.

Molecular Properties

Compound Nametribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane
PubChem CID18612118
Molecular FormulaC17H25Br3OSi
Molecular Weight513.18 g/mol
Exact Mass509.92
IUPAC Nametribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane
SMILESCCc1ccc(C2CCC(OCCC[Si](Br)(Br)Br)CC2)cc1
InChIInChI=1S/C17H25Br3OSi/c1-2-14-4-6-15(7-5-14)16-8-10-17(11-9-16)21-12-3-13-22(18,19)20/h4-7,16-17H,2-3,8-13H2,1H3
InChIKeyIVNNPQPEQZKVLR-UHFFFAOYSA-N
XLogP6.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.18
LogP ≤ 56.81
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

3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane
CID 18612136
tribromo-[3-[4-(4-methylcyclohexyl)phenoxy]propyl]silane
CID 18612110
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
1-(4-ethylphenyl)-2-fluoro-4-[4-[4-(4-methylcyclohexyl)oxybutoxy]cyclohexyl]benzene
CID 59265436
1-heptyl-4-[4-[3-(4-nonylcyclohexyl)propoxy]cyclohexyl]benzene
CID 19739262
1-[4-[3-(4-hexylcyclohexyl)propoxy]cyclohexyl]-4-pentylbenzene
CID 19738829
tribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane
CID 57086062
1-[4-[3-(4-octylcyclohexyl)propoxy]cyclohexyl]-4-propylbenzene
CID 19739098
3-[4-(4-heptylphenyl)cyclohexyl]oxypropyl-iodosilane
CID 123815090
1-pentyl-4-[4-[3-(4-propylcyclohexyl)propoxy]cyclohexyl]benzene
CID 19739235
4-[4-(3-trichlorosilylpropoxy)cyclohexyl]benzonitrile
CID 18612138
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276

Frequently Asked Questions

What is the IUPAC name of tribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane?
The IUPAC name of tribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane (CID 18612118) is tribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane.
What is the SMILES notation for tribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane?
The canonical SMILES for tribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane is CCc1ccc(C2CCC(OCCC[Si](Br)(Br)Br)CC2)cc1.
What is the InChIKey of tribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane?
The InChIKey is IVNNPQPEQZKVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Br3OSi/c1-2-14-4-6-15(7-5-14)16-8-10-17(11-9-16)21-12-3-13-22(18,19)20/h4-7,16-17H,2-3,8-13H2,1H3.
What are the key properties of tribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane?
tribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane has a molecular weight of 513.18 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane is sourced from PubChem (CID 18612118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).