dichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane

C15H22Cl2O2Si — CID 164816153

IUPACdichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane
SMILESCCCCCC1(C)OCc2cc([Si](C)(Cl)Cl)ccc2O1
InChIInChI=1S/C15H22Cl2O2Si/c1-4-5-6-9-15(2)18-11-12-10-13(20(3,16)17)7-8-14(12)19-15/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyIELWPXDTCXWASY-UHFFFAOYSA-N
MW333.33 g/mol
LogP4.65
Rot. Bonds5

About dichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane

dichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane (PubChem CID 164816153) has the molecular formula C15H22Cl2O2Si and a molecular weight of 333.33 g/mol. Its IUPAC name is dichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane.

Molecular Properties

Compound Namedichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane
PubChem CID164816153
Molecular FormulaC15H22Cl2O2Si
Molecular Weight333.33 g/mol
Exact Mass332.08
IUPAC Namedichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane
SMILESCCCCCC1(C)OCc2cc([Si](C)(Cl)Cl)ccc2O1
InChIInChI=1S/C15H22Cl2O2Si/c1-4-5-6-9-15(2)18-11-12-10-13(20(3,16)17)7-8-14(12)19-15/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyIELWPXDTCXWASY-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 54.65
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

diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane
CID 164816172
trichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane
CID 164815662
[acetyloxy-(2-butyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilyl] acetate
CID 164816304
CID 164958869
CID 164958869
diethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane
CID 164816366
trichloro-[2-methyl-2-(2-methylpropyl)-4H-1,3-benzodioxin-6-yl]silane
CID 164815972
3-(2,6-dimethyl-4H-1,3-benzodioxin-2-yl)propan-1-amine
CID 115062918
dichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane
CID 164816242
triethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane
CID 164816392
CID 165001242
CID 165001242
dimethoxy-methyl-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane
CID 164816398
2-methyl-2-octylthieno[3,4-d][1,3]dioxole
CID 141058651

Frequently Asked Questions

What is the IUPAC name of dichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane?
The IUPAC name of dichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane (CID 164816153) is dichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane.
What is the SMILES notation for dichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane?
The canonical SMILES for dichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane is CCCCCC1(C)OCc2cc([Si](C)(Cl)Cl)ccc2O1.
What is the InChIKey of dichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane?
The InChIKey is IELWPXDTCXWASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2O2Si/c1-4-5-6-9-15(2)18-11-12-10-13(20(3,16)17)7-8-14(12)19-15/h7-8,10H,4-6,9,11H2,1-3H3.
What are the key properties of dichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane?
dichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane has a molecular weight of 333.33 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane is sourced from PubChem (CID 164816153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).