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

C17H25Cl3O2Si — CID 164815662

IUPACtrichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane
SMILESCCCCCC1(C)OCc2cc(CCC[Si](Cl)(Cl)Cl)ccc2O1
InChIInChI=1S/C17H25Cl3O2Si/c1-3-4-5-10-17(2)21-13-15-12-14(8-9-16(15)22-17)7-6-11-23(18,19)20/h8-9,12H,3-7,10-11,13H2,1-2H3
InChIKeyCYGPAIKOKFAVCI-UHFFFAOYSA-N
MW395.83 g/mol
LogP6.48
Rot. Bonds8

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

trichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane (PubChem CID 164815662) has the molecular formula C17H25Cl3O2Si and a molecular weight of 395.83 g/mol. Its IUPAC name is trichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane.

Molecular Properties

Compound Nametrichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane
PubChem CID164815662
Molecular FormulaC17H25Cl3O2Si
Molecular Weight395.83 g/mol
Exact Mass394.07
IUPAC Nametrichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane
SMILESCCCCCC1(C)OCc2cc(CCC[Si](Cl)(Cl)Cl)ccc2O1
InChIInChI=1S/C17H25Cl3O2Si/c1-3-4-5-10-17(2)21-13-15-12-14(8-9-16(15)22-17)7-6-11-23(18,19)20/h8-9,12H,3-7,10-11,13H2,1-2H3
InChIKeyCYGPAIKOKFAVCI-UHFFFAOYSA-N
XLogP6.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.83
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

dichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane
CID 164816153
diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane
CID 164816172
CID 164958869
CID 164958869
diethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane
CID 164816366
[acetyloxy-(2-butyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilyl] acetate
CID 164816304
3-(2,6-dimethyl-4H-1,3-benzodioxin-2-yl)propan-1-amine
CID 115062918
trimethoxy-[3-(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)propyl]silane
CID 164816198
trichloro-[3-(2-cyclohexyl-2-methyl-4H-1,3,2-benzodioxasilin-6-yl)propyl]silane
CID 164816092
trichloro-[2-methyl-2-(2-methylpropyl)-4H-1,3-benzodioxin-6-yl]silane
CID 164815972
dichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane
CID 164816242
3,8-di(nonyl)-6,11-dihydro-5H-benzo[b][1]benzazepine
CID 170778877
2-methyl-2-octylthieno[3,4-d][1,3]dioxole
CID 141058651

Frequently Asked Questions

What is the IUPAC name of trichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane?
The IUPAC name of trichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane (CID 164815662) is trichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane.
What is the SMILES notation for trichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane?
The canonical SMILES for trichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane is CCCCCC1(C)OCc2cc(CCC[Si](Cl)(Cl)Cl)ccc2O1.
What is the InChIKey of trichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane?
The InChIKey is CYGPAIKOKFAVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl3O2Si/c1-3-4-5-10-17(2)21-13-15-12-14(8-9-16(15)22-17)7-6-11-23(18,19)20/h8-9,12H,3-7,10-11,13H2,1-2H3.
What are the key properties of trichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane?
trichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane has a molecular weight of 395.83 g/mol, XLogP of 6.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane is sourced from PubChem (CID 164815662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).