3-[4-(4-butan-2-ylcyclohexyl)phenoxy]propyl-trichlorosilane

C19H29Cl3OSi — CID 18612133

IUPAC3-[4-(4-butan-2-ylcyclohexyl)phenoxy]propyl-trichlorosilane
SMILESCCC(C)C1CCC(c2ccc(OCCC[Si](Cl)(Cl)Cl)cc2)CC1
InChIInChI=1S/C19H29Cl3OSi/c1-3-15(2)16-5-7-17(8-6-16)18-9-11-19(12-10-18)23-13-4-14-24(20,21)22/h9-12,15-17H,3-8,13-14H2,1-2H3
InChIKeyPWCLGRSOQUHLMD-UHFFFAOYSA-N
MW407.89 g/mol
LogP7.43
Rot. Bonds8

About 3-[4-(4-butan-2-ylcyclohexyl)phenoxy]propyl-trichlorosilane

3-[4-(4-butan-2-ylcyclohexyl)phenoxy]propyl-trichlorosilane (PubChem CID 18612133) has the molecular formula C19H29Cl3OSi and a molecular weight of 407.89 g/mol. Its IUPAC name is 3-[4-(4-butan-2-ylcyclohexyl)phenoxy]propyl-trichlorosilane.

Molecular Properties

Compound Name3-[4-(4-butan-2-ylcyclohexyl)phenoxy]propyl-trichlorosilane
PubChem CID18612133
Molecular FormulaC19H29Cl3OSi
Molecular Weight407.89 g/mol
Exact Mass406.11
IUPAC Name3-[4-(4-butan-2-ylcyclohexyl)phenoxy]propyl-trichlorosilane
SMILESCCC(C)C1CCC(c2ccc(OCCC[Si](Cl)(Cl)Cl)cc2)CC1
InChIInChI=1S/C19H29Cl3OSi/c1-3-15(2)16-5-7-17(8-6-16)18-9-11-19(12-10-18)23-13-4-14-24(20,21)22/h9-12,15-17H,3-8,13-14H2,1-2H3
InChIKeyPWCLGRSOQUHLMD-UHFFFAOYSA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.89
LogP ≤ 57.43
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-butan-2-ylcyclohexyl)phenoxy]propyl-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

trichloro-[3-[4-(4-decylcyclohexyl)phenoxy]propyl]silane
CID 57282253
1-butoxy-4-[4-[4-(difluoromethyl)cyclohexyl]phenyl]benzene
CID 19436543
tribromo-[3-[4-(4-methylcyclohexyl)phenoxy]propyl]silane
CID 18612110
1-[4-[4-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-amine
CID 143707742
1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine
CID 143707745
3-[4-(4-butylphenyl)cyclohexyl]oxypropyl-trichlorosilane
CID 18612136
tribromo-[3-[4-(4-pentylcyclohexyl)phenoxy]propyl]silane
CID 57086062
dichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane
CID 123271377
4-[4-(3-trichlorosilylpropoxy)cyclohexyl]benzonitrile
CID 18612138
(4-cyclopropylphenyl)-(4-propoxyphenyl)methanol
CID 79970800
1-cyclohexyl-4-heptoxybenzene
CID 56628106
4-(4-butoxyphenyl)cyclohexane-1-carboxylic acid
CID 56638920

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-butan-2-ylcyclohexyl)phenoxy]propyl-trichlorosilane?
The IUPAC name of 3-[4-(4-butan-2-ylcyclohexyl)phenoxy]propyl-trichlorosilane (CID 18612133) is 3-[4-(4-butan-2-ylcyclohexyl)phenoxy]propyl-trichlorosilane.
What is the SMILES notation for 3-[4-(4-butan-2-ylcyclohexyl)phenoxy]propyl-trichlorosilane?
The canonical SMILES for 3-[4-(4-butan-2-ylcyclohexyl)phenoxy]propyl-trichlorosilane is CCC(C)C1CCC(c2ccc(OCCC[Si](Cl)(Cl)Cl)cc2)CC1.
What is the InChIKey of 3-[4-(4-butan-2-ylcyclohexyl)phenoxy]propyl-trichlorosilane?
The InChIKey is PWCLGRSOQUHLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29Cl3OSi/c1-3-15(2)16-5-7-17(8-6-16)18-9-11-19(12-10-18)23-13-4-14-24(20,21)22/h9-12,15-17H,3-8,13-14H2,1-2H3.
What are the key properties of 3-[4-(4-butan-2-ylcyclohexyl)phenoxy]propyl-trichlorosilane?
3-[4-(4-butan-2-ylcyclohexyl)phenoxy]propyl-trichlorosilane has a molecular weight of 407.89 g/mol, XLogP of 7.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-butan-2-ylcyclohexyl)phenoxy]propyl-trichlorosilane is sourced from PubChem (CID 18612133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).