[diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate

C18H24O8Si — CID 164815890

IUPAC[diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate
SMILESCC(=O)O[Si](OC(C)=O)(OC(C)=O)c1ccc2c(c1)COC(C)(C(C)C)O2
InChIInChI=1S/C18H24O8Si/c1-11(2)18(6)22-10-15-9-16(7-8-17(15)23-18)27(24-12(3)19,25-13(4)20)26-14(5)21/h7-9,11H,10H2,1-6H3
InChIKeyINUMPPHNMNMTGL-UHFFFAOYSA-N
MW396.47 g/mol
LogP1.80
Rot. Bonds5

About [diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate

[diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate (PubChem CID 164815890) has the molecular formula C18H24O8Si and a molecular weight of 396.47 g/mol. Its IUPAC name is [diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate
PubChem CID164815890
Molecular FormulaC18H24O8Si
Molecular Weight396.47 g/mol
Exact Mass396.12
IUPAC Name[diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate
SMILESCC(=O)O[Si](OC(C)=O)(OC(C)=O)c1ccc2c(c1)COC(C)(C(C)C)O2
InChIInChI=1S/C18H24O8Si/c1-11(2)18(6)22-10-15-9-16(7-8-17(15)23-18)27(24-12(3)19,25-13(4)20)26-14(5)21/h7-9,11H,10H2,1-6H3
InChIKeyINUMPPHNMNMTGL-UHFFFAOYSA-N
XLogP1.80
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane
CID 164816392
dimethoxy-methyl-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane
CID 164816398
[acetyloxy-(2-butyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilyl] acetate
CID 164816304
[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
trichloro-[2-methyl-2-(2-methylpropyl)-4H-1,3-benzodioxin-6-yl]silane
CID 164815972
triethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane
CID 164816029
[diacetyloxy-[3-[(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silyl] acetate
CID 164816467
CID 164958879
CID 164958879
(2-cyclopentyl-2-methyl-4H-1,3-benzodioxin-6-yl)-dimethoxy-methylsilane
CID 164816144
(3S)-3-amino-4-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)butan-2-one
CID 159367838
(1S)-2-amino-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
CID 11615507
dichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane
CID 164816153

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate?
The IUPAC name of [diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate (CID 164815890) is [diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate.
What is the SMILES notation for [diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate?
The canonical SMILES for [diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate is CC(=O)O[Si](OC(C)=O)(OC(C)=O)c1ccc2c(c1)COC(C)(C(C)C)O2.
What is the InChIKey of [diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate?
The InChIKey is INUMPPHNMNMTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O8Si/c1-11(2)18(6)22-10-15-9-16(7-8-17(15)23-18)27(24-12(3)19,25-13(4)20)26-14(5)21/h7-9,11H,10H2,1-6H3.
What are the key properties of [diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate?
[diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate has a molecular weight of 396.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate is sourced from PubChem (CID 164815890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).