[4-(4-decylcyclohexyl)phenyl]-trimethoxysilane

C25H44O3Si — CID 141324734

IUPAC[4-(4-decylcyclohexyl)phenyl]-trimethoxysilane
SMILESCCCCCCCCCCC1CCC(c2ccc([Si](OC)(OC)OC)cc2)CC1
InChIInChI=1S/C25H44O3Si/c1-5-6-7-8-9-10-11-12-13-22-14-16-23(17-15-22)24-18-20-25(21-19-24)29(26-2,27-3)28-4/h18-23H,5-17H2,1-4H3
InChIKeyWNDISJSJTJVKCS-UHFFFAOYSA-N
MW420.71 g/mol
LogP6.58
Rot. Bonds14

About [4-(4-decylcyclohexyl)phenyl]-trimethoxysilane

[4-(4-decylcyclohexyl)phenyl]-trimethoxysilane (PubChem CID 141324734) has the molecular formula C25H44O3Si and a molecular weight of 420.71 g/mol. Its IUPAC name is [4-(4-decylcyclohexyl)phenyl]-trimethoxysilane.

Molecular Properties

Compound Name[4-(4-decylcyclohexyl)phenyl]-trimethoxysilane
PubChem CID141324734
Molecular FormulaC25H44O3Si
Molecular Weight420.71 g/mol
Exact Mass420.31
IUPAC Name[4-(4-decylcyclohexyl)phenyl]-trimethoxysilane
SMILESCCCCCCCCCCC1CCC(c2ccc([Si](OC)(OC)OC)cc2)CC1
InChIInChI=1S/C25H44O3Si/c1-5-6-7-8-9-10-11-12-13-22-14-16-23(17-15-22)24-18-20-25(21-19-24)29(26-2,27-3)28-4/h18-23H,5-17H2,1-4H3
InChIKeyWNDISJSJTJVKCS-UHFFFAOYSA-N
XLogP6.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.71
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
CID 57132254
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-methoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539339
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298

Frequently Asked Questions

What is the IUPAC name of [4-(4-decylcyclohexyl)phenyl]-trimethoxysilane?
The IUPAC name of [4-(4-decylcyclohexyl)phenyl]-trimethoxysilane (CID 141324734) is [4-(4-decylcyclohexyl)phenyl]-trimethoxysilane.
What is the SMILES notation for [4-(4-decylcyclohexyl)phenyl]-trimethoxysilane?
The canonical SMILES for [4-(4-decylcyclohexyl)phenyl]-trimethoxysilane is CCCCCCCCCCC1CCC(c2ccc([Si](OC)(OC)OC)cc2)CC1.
What is the InChIKey of [4-(4-decylcyclohexyl)phenyl]-trimethoxysilane?
The InChIKey is WNDISJSJTJVKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O3Si/c1-5-6-7-8-9-10-11-12-13-22-14-16-23(17-15-22)24-18-20-25(21-19-24)29(26-2,27-3)28-4/h18-23H,5-17H2,1-4H3.
What are the key properties of [4-(4-decylcyclohexyl)phenyl]-trimethoxysilane?
[4-(4-decylcyclohexyl)phenyl]-trimethoxysilane has a molecular weight of 420.71 g/mol, XLogP of 6.58, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-decylcyclohexyl)phenyl]-trimethoxysilane is sourced from PubChem (CID 141324734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).