3-[4-(4-pentylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane

C26H46O3Si — CID 123824670

IUPAC3-[4-(4-pentylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane
SMILESCCCCCC1CCC(c2ccc(OCCC[SiH](OC(C)C)OC(C)C)cc2)CC1
InChIInChI=1S/C26H46O3Si/c1-6-7-8-10-23-11-13-24(14-12-23)25-15-17-26(18-16-25)27-19-9-20-30(28-21(2)3)29-22(4)5/h15-18,21-24,30H,6-14,19-20H2,1-5H3
InChIKeyCBFCUSZLMCQXPT-UHFFFAOYSA-N
MW434.74 g/mol
LogP7.38
Rot. Bonds14

About 3-[4-(4-pentylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane

3-[4-(4-pentylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane (PubChem CID 123824670) has the molecular formula C26H46O3Si and a molecular weight of 434.74 g/mol. Its IUPAC name is 3-[4-(4-pentylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane.

Molecular Properties

Compound Name3-[4-(4-pentylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane
PubChem CID123824670
Molecular FormulaC26H46O3Si
Molecular Weight434.74 g/mol
Exact Mass434.32
IUPAC Name3-[4-(4-pentylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane
SMILESCCCCCC1CCC(c2ccc(OCCC[SiH](OC(C)C)OC(C)C)cc2)CC1
InChIInChI=1S/C26H46O3Si/c1-6-7-8-10-23-11-13-24(14-12-23)25-15-17-26(18-16-25)27-19-9-20-30(28-21(2)3)29-22(4)5/h15-18,21-24,30H,6-14,19-20H2,1-5H3
InChIKeyCBFCUSZLMCQXPT-UHFFFAOYSA-N
XLogP7.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.74
LogP ≤ 57.38
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

3-[4-(4-nonylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane
CID 123861220
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136
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-butoxy-4-[[4-(4-pentylcyclohexyl)phenyl]methoxy]benzene
CID 54111085
9-[4-(4-pentylcyclohexyl)phenoxy]nonane-1-thiol
CID 102302760
1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene
CID 59265311

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-pentylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane?
The IUPAC name of 3-[4-(4-pentylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane (CID 123824670) is 3-[4-(4-pentylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane.
What is the SMILES notation for 3-[4-(4-pentylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane?
The canonical SMILES for 3-[4-(4-pentylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane is CCCCCC1CCC(c2ccc(OCCC[SiH](OC(C)C)OC(C)C)cc2)CC1.
What is the InChIKey of 3-[4-(4-pentylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane?
The InChIKey is CBFCUSZLMCQXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O3Si/c1-6-7-8-10-23-11-13-24(14-12-23)25-15-17-26(18-16-25)27-19-9-20-30(28-21(2)3)29-22(4)5/h15-18,21-24,30H,6-14,19-20H2,1-5H3.
What are the key properties of 3-[4-(4-pentylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane?
3-[4-(4-pentylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane has a molecular weight of 434.74 g/mol, XLogP of 7.38, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-pentylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane is sourced from PubChem (CID 123824670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).