trichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane

C17H25Cl3O2Si2 — CID 164816092

IUPACtrichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane
SMILESC[Si]1(C2CCCCC2)OCc2cc(CCC[Si](Cl)(Cl)Cl)ccc2O1
InChIInChI=1S/C17H25Cl3O2Si2/c1-23(16-7-3-2-4-8-16)21-13-15-12-14(9-10-17(15)22-23)6-5-11-24(18,19)20/h9-10,12,16H,2-8,11,13H2,1H3
InChIKeyQWQOFSPTPMFWGO-UHFFFAOYSA-N
MW423.92 g/mol
LogP6.59
Rot. Bonds5

About trichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane

trichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane (PubChem CID 164816092) has the molecular formula C17H25Cl3O2Si2 and a molecular weight of 423.92 g/mol. Its IUPAC name is trichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane.

Molecular Properties

Compound Nametrichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane
PubChem CID164816092
Molecular FormulaC17H25Cl3O2Si2
Molecular Weight423.92 g/mol
Exact Mass422.05
IUPAC Nametrichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane
SMILESC[Si]1(C2CCCCC2)OCc2cc(CCC[Si](Cl)(Cl)Cl)ccc2O1
InChIInChI=1S/C17H25Cl3O2Si2/c1-23(16-7-3-2-4-8-16)21-13-15-12-14(9-10-17(15)22-23)6-5-11-24(18,19)20/h9-10,12,16H,2-8,11,13H2,1H3
InChIKeyQWQOFSPTPMFWGO-UHFFFAOYSA-N
XLogP6.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.92
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trichloro-[2-[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]ethyl]silane
CID 164816052
trichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane
CID 164815662
N,N-dimethyl-3-[2-methyl-6-(3-triethoxysilylpropyl)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine
CID 164815656
3-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)propyl-triethoxysilane
CID 164816168
triethoxy-[2-(2-methyl-2-propyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silane
CID 164960790
[diacetyloxy-[2-(2,2-diphenyl-4H-1,3,2-benzodioxasilin-6-yl)ethyl]silyl] acetate
CID 164816174
trimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane
CID 164816198
trichloro-[3-(4-phenylphenyl)propyl]silane
CID 69458653
1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111826609
N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 65445563
2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
CID 114794918
5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one
CID 98016927

Frequently Asked Questions

What is the IUPAC name of trichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane?
The IUPAC name of trichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane (CID 164816092) is trichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane.
What is the SMILES notation for trichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane?
The canonical SMILES for trichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane is C[Si]1(C2CCCCC2)OCc2cc(CCC[Si](Cl)(Cl)Cl)ccc2O1.
What is the InChIKey of trichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane?
The InChIKey is QWQOFSPTPMFWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl3O2Si2/c1-23(16-7-3-2-4-8-16)21-13-15-12-14(9-10-17(15)22-23)6-5-11-24(18,19)20/h9-10,12,16H,2-8,11,13H2,1H3.
What are the key properties of trichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane?
trichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane has a molecular weight of 423.92 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane is sourced from PubChem (CID 164816092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).