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

C16H23Br3OSi — CID 18612110

IUPACtribromo-[3-[4-(4-methylcyclohexyl)phenoxy]propyl]silane
SMILESCC1CCC(c2ccc(OCCC[Si](Br)(Br)Br)cc2)CC1
InChIInChI=1S/C16H23Br3OSi/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)20-11-2-12-21(17,18)19/h7-10,13-14H,2-6,11-12H2,1H3
InChIKeyHAJKNZQZPYZBRP-UHFFFAOYSA-N
MW499.16 g/mol
LogP6.87
Rot. Bonds6

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

tribromo-[3-[4-(4-methylcyclohexyl)phenoxy]propyl]silane (PubChem CID 18612110) has the molecular formula C16H23Br3OSi and a molecular weight of 499.16 g/mol. Its IUPAC name is tribromo-[3-[4-(4-methylcyclohexyl)phenoxy]propyl]silane.

Molecular Properties

Compound Nametribromo-[3-[4-(4-methylcyclohexyl)phenoxy]propyl]silane
PubChem CID18612110
Molecular FormulaC16H23Br3OSi
Molecular Weight499.16 g/mol
Exact Mass495.91
IUPAC Nametribromo-[3-[4-(4-methylcyclohexyl)phenoxy]propyl]silane
SMILESCC1CCC(c2ccc(OCCC[Si](Br)(Br)Br)cc2)CC1
InChIInChI=1S/C16H23Br3OSi/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)20-11-2-12-21(17,18)19/h7-10,13-14H,2-6,11-12H2,1H3
InChIKeyHAJKNZQZPYZBRP-UHFFFAOYSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.16
LogP ≤ 56.87
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

tribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane
CID 57086062
1-(4-methylcyclohexyl)-4-[2-(4-propoxyphenyl)ethynyl]benzene
CID 58933295
1-(cyclopropylmethoxy)-4-(4-methylcyclohexyl)benzene
CID 21137247
1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene
CID 59499066
tribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane
CID 18612118
trichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane
CID 57282253
5-hexoxy-2-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]pyrimidine
CID 19984266
1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
CID 118595910
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908
3-[4-(4-butan-2-ylcyclohexyl)phenoxy]propyl-trichlorosilane
CID 18612133
1-cyclohexyl-4-heptoxybenzene
CID 56628106
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139

Frequently Asked Questions

What is the IUPAC name of tribromo-[3-[4-(4-methylcyclohexyl)phenoxy]propyl]silane?
The IUPAC name of tribromo-[3-[4-(4-methylcyclohexyl)phenoxy]propyl]silane (CID 18612110) is tribromo-[3-[4-(4-methylcyclohexyl)phenoxy]propyl]silane.
What is the SMILES notation for tribromo-[3-[4-(4-methylcyclohexyl)phenoxy]propyl]silane?
The canonical SMILES for tribromo-[3-[4-(4-methylcyclohexyl)phenoxy]propyl]silane is CC1CCC(c2ccc(OCCC[Si](Br)(Br)Br)cc2)CC1.
What is the InChIKey of tribromo-[3-[4-(4-methylcyclohexyl)phenoxy]propyl]silane?
The InChIKey is HAJKNZQZPYZBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br3OSi/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)20-11-2-12-21(17,18)19/h7-10,13-14H,2-6,11-12H2,1H3.
What are the key properties of tribromo-[3-[4-(4-methylcyclohexyl)phenoxy]propyl]silane?
tribromo-[3-[4-(4-methylcyclohexyl)phenoxy]propyl]silane has a molecular weight of 499.16 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tribromo-[3-[4-(4-methylcyclohexyl)phenoxy]propyl]silane is sourced from PubChem (CID 18612110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).