triethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane

C18H30O5Si — CID 164816392

IUPACtriethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane
SMILESCCO[Si](OCC)(OCC)c1ccc2c(c1)COC(C)(C(C)C)O2
InChIInChI=1S/C18H30O5Si/c1-7-20-24(21-8-2,22-9-3)16-10-11-17-15(12-16)13-19-18(6,23-17)14(4)5/h10-12,14H,7-9,13H2,1-6H3
InChIKeyPMFUOPYCUJFTJU-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.22
Rot. Bonds8

About triethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane

triethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane (PubChem CID 164816392) has the molecular formula C18H30O5Si and a molecular weight of 354.52 g/mol. Its IUPAC name is triethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane.

Molecular Properties

Compound Nametriethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane
PubChem CID164816392
Molecular FormulaC18H30O5Si
Molecular Weight354.52 g/mol
Exact Mass354.19
IUPAC Nametriethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane
SMILESCCO[Si](OCC)(OCC)c1ccc2c(c1)COC(C)(C(C)C)O2
InChIInChI=1S/C18H30O5Si/c1-7-20-24(21-8-2,22-9-3)16-10-11-17-15(12-16)13-19-18(6,23-17)14(4)5/h10-12,14H,7-9,13H2,1-6H3
InChIKeyPMFUOPYCUJFTJU-UHFFFAOYSA-N
XLogP3.22
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate
CID 164815890
dimethoxy-methyl-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane
CID 164816398
triethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane
CID 164816029
diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane
CID 164816172
CID 164958879
CID 164958879
trichloro-[2-methyl-2-(2-methylpropyl)-4H-1,3-benzodioxin-6-yl]silane
CID 164815972
2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane
CID 71105875
[diacetyloxy-[(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silyl] acetate;[diacetyloxy-[(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silyl] acetate;[diacetyloxy-[(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silyl] acetate;[diacetyloxy-[(2-methyl-2-propyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silyl] acetate;(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)oxymethyl-triethoxysilane;(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)oxymethyl-trimethoxysilane;trichloro-[(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;trichloro-[(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;trichloro-[(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;trichloro-[(2-methyl-2-propyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;triethoxy-[(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;triethoxy-[(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;triethoxy-[(2-methyl-2-propyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;bis(trimethoxy-[(2-methyl-2-propyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane)
CID 165056852
3-(2-methyl-6-triethoxysilyl-4H-1,3,2-benzodioxasilin-2-yl)propan-1-amine
CID 164816495
[acetyloxy-(2-butyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilyl] acetate
CID 164816304
3-(2-methyl-6-triethoxysilyl-4H-1,3,2-benzodioxasilin-2-yl)propane-1-thiol
CID 164816147
dichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane
CID 164816153

Frequently Asked Questions

What is the IUPAC name of triethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane?
The IUPAC name of triethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane (CID 164816392) is triethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane.
What is the SMILES notation for triethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane?
The canonical SMILES for triethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane is CCO[Si](OCC)(OCC)c1ccc2c(c1)COC(C)(C(C)C)O2.
What is the InChIKey of triethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane?
The InChIKey is PMFUOPYCUJFTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O5Si/c1-7-20-24(21-8-2,22-9-3)16-10-11-17-15(12-16)13-19-18(6,23-17)14(4)5/h10-12,14H,7-9,13H2,1-6H3.
What are the key properties of triethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane?
triethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane has a molecular weight of 354.52 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane is sourced from PubChem (CID 164816392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).