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

C30H54O3Si — CID 123861220

IUPAC3-[4-(4-nonylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane
SMILESCCCCCCCCCC1CCC(c2ccc(OCCC[SiH](OC(C)C)OC(C)C)cc2)CC1
InChIInChI=1S/C30H54O3Si/c1-6-7-8-9-10-11-12-14-27-15-17-28(18-16-27)29-19-21-30(22-20-29)31-23-13-24-34(32-25(2)3)33-26(4)5/h19-22,25-28,34H,6-18,23-24H2,1-5H3
InChIKeyNSNUIQNPYBGOQE-UHFFFAOYSA-N
MW490.85 g/mol
LogP8.94
Rot. Bonds18

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

3-[4-(4-nonylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane (PubChem CID 123861220) has the molecular formula C30H54O3Si and a molecular weight of 490.85 g/mol. Its IUPAC name is 3-[4-(4-nonylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane.

Molecular Properties

Compound Name3-[4-(4-nonylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane
PubChem CID123861220
Molecular FormulaC30H54O3Si
Molecular Weight490.85 g/mol
Exact Mass490.38
IUPAC Name3-[4-(4-nonylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane
SMILESCCCCCCCCCC1CCC(c2ccc(OCCC[SiH](OC(C)C)OC(C)C)cc2)CC1
InChIInChI=1S/C30H54O3Si/c1-6-7-8-9-10-11-12-14-27-15-17-28(18-16-27)29-19-21-30(22-20-29)31-23-13-24-34(32-25(2)3)33-26(4)5/h19-22,25-28,34H,6-18,23-24H2,1-5H3
InChIKeyNSNUIQNPYBGOQE-UHFFFAOYSA-N
XLogP8.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.85
LogP ≤ 58.94
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-pentylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane
CID 123824670
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
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-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene
CID 59265311
9-[4-(4-pentylcyclohexyl)phenoxy]nonane-1-thiol
CID 102302760
1-butoxy-4-[[4-(4-pentylcyclohexyl)phenyl]methoxy]benzene
CID 54111085

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-nonylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane?
The IUPAC name of 3-[4-(4-nonylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane (CID 123861220) is 3-[4-(4-nonylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane.
What is the SMILES notation for 3-[4-(4-nonylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane?
The canonical SMILES for 3-[4-(4-nonylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane is CCCCCCCCCC1CCC(c2ccc(OCCC[SiH](OC(C)C)OC(C)C)cc2)CC1.
What is the InChIKey of 3-[4-(4-nonylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane?
The InChIKey is NSNUIQNPYBGOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O3Si/c1-6-7-8-9-10-11-12-14-27-15-17-28(18-16-27)29-19-21-30(22-20-29)31-23-13-24-34(32-25(2)3)33-26(4)5/h19-22,25-28,34H,6-18,23-24H2,1-5H3.
What are the key properties of 3-[4-(4-nonylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane?
3-[4-(4-nonylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane has a molecular weight of 490.85 g/mol, XLogP of 8.94, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-nonylcyclohexyl)phenoxy]propyl-di(propan-2-yloxy)silane is sourced from PubChem (CID 123861220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).