3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane

C19H29Cl3OSi — CID 18612136

IUPAC3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane
SMILESCCCCc1ccc(C2CCC(OCCC[Si](Cl)(Cl)Cl)CC2)cc1
InChIInChI=1S/C19H29Cl3OSi/c1-2-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)23-14-4-15-24(20,21)22/h6-9,18-19H,2-5,10-15H2,1H3
InChIKeyJMNLIGWSOMXBPG-UHFFFAOYSA-N
MW407.89 g/mol
LogP7.12
Rot. Bonds9

About 3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane

3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane (PubChem CID 18612136) has the molecular formula C19H29Cl3OSi and a molecular weight of 407.89 g/mol. Its IUPAC name is 3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane.

Molecular Properties

Compound Name3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane
PubChem CID18612136
Molecular FormulaC19H29Cl3OSi
Molecular Weight407.89 g/mol
Exact Mass406.11
IUPAC Name3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane
SMILESCCCCc1ccc(C2CCC(OCCC[Si](Cl)(Cl)Cl)CC2)cc1
InChIInChI=1S/C19H29Cl3OSi/c1-2-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)23-14-4-15-24(20,21)22/h6-9,18-19H,2-5,10-15H2,1H3
InChIKeyJMNLIGWSOMXBPG-UHFFFAOYSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.89
LogP ≤ 57.12
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'}

Analyze 3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-heptyl-4-[4-[3-(4-nonylcyclohexyl)propoxy]cyclohexyl]benzene
CID 19739262
1-[4-[3-(4-hexylcyclohexyl)propoxy]cyclohexyl]-4-pentylbenzene
CID 19738829
4-[4-(3-trichlorosilylpropoxy)cyclohexyl]benzonitrile
CID 18612138
1-pentyl-4-[4-[3-(4-propylcyclohexyl)propoxy]cyclohexyl]benzene
CID 19739235
3-[4-(4-heptylphenyl)cyclohexyl]oxypropyl-iodosilane
CID 123815090
tribromo-[3-[4-(4-ethylphenyl)cyclohexyl]oxypropyl]silane
CID 18612118
1-[4-[3-(4-octylcyclohexyl)propoxy]cyclohexyl]-4-propylbenzene
CID 19739098
trichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane
CID 57282253
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
1-(4-fluorocyclohexyl)-4-heptylbenzene
CID 22123877
1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene
CID 19798870
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane?
The IUPAC name of 3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane (CID 18612136) is 3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane.
What is the SMILES notation for 3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane?
The canonical SMILES for 3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane is CCCCc1ccc(C2CCC(OCCC[Si](Cl)(Cl)Cl)CC2)cc1.
What is the InChIKey of 3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane?
The InChIKey is JMNLIGWSOMXBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29Cl3OSi/c1-2-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)23-14-4-15-24(20,21)22/h6-9,18-19H,2-5,10-15H2,1H3.
What are the key properties of 3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane?
3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane has a molecular weight of 407.89 g/mol, XLogP of 7.12, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane is sourced from PubChem (CID 18612136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).