[acetyloxy(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-6-yl)silyl] acetate

C16H20O6Si — CID 164815734

IUPAC[acetyloxy(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-6-yl)silyl] acetate
SMILESCC(=O)O[SiH](OC(C)=O)c1ccc2c(c1)COC1(CCCC1)O2
InChIInChI=1S/C16H20O6Si/c1-11(17)21-23(22-12(2)18)14-5-6-15-13(9-14)10-19-16(20-15)7-3-4-8-16/h5-6,9,23H,3-4,7-8,10H2,1-2H3
InChIKeyJGUMDSISUIHQGO-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.42
Rot. Bonds3

About [acetyloxy(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-6-yl)silyl] acetate

[acetyloxy(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-6-yl)silyl] acetate (PubChem CID 164815734) has the molecular formula C16H20O6Si and a molecular weight of 336.42 g/mol. Its IUPAC name is [acetyloxy(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-6-yl)silyl] acetate.

Molecular Properties

Compound Name[acetyloxy(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-6-yl)silyl] acetate
PubChem CID164815734
Molecular FormulaC16H20O6Si
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name[acetyloxy(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-6-yl)silyl] acetate
SMILESCC(=O)O[SiH](OC(C)=O)c1ccc2c(c1)COC1(CCCC1)O2
InChIInChI=1S/C16H20O6Si/c1-11(17)21-23(22-12(2)18)14-5-6-15-13(9-14)10-19-16(20-15)7-3-4-8-16/h5-6,9,23H,3-4,7-8,10H2,1-2H3
InChIKeyJGUMDSISUIHQGO-UHFFFAOYSA-N
XLogP1.42
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 164981926
CID 164981926
N-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylacetohydrazide
CID 143841802
1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone
CID 126473308
(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane
CID 164815992
6-bromo-3',3'-dimethylspiro[4H-1,3-benzodioxine-2,1'-cyclohexane]
CID 10710133
1-(6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone
CID 126472139
diethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane
CID 164816366
6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 115062790
6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 11368068
1-(6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone
CID 126473582
6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 126475482
[1-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-3-(pyrrolidine-1-carbonyl)cyclobutyl] acetate
CID 58198885

Frequently Asked Questions

What is the IUPAC name of [acetyloxy(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-6-yl)silyl] acetate?
The IUPAC name of [acetyloxy(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-6-yl)silyl] acetate (CID 164815734) is [acetyloxy(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-6-yl)silyl] acetate.
What is the SMILES notation for [acetyloxy(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-6-yl)silyl] acetate?
The canonical SMILES for [acetyloxy(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-6-yl)silyl] acetate is CC(=O)O[SiH](OC(C)=O)c1ccc2c(c1)COC1(CCCC1)O2.
What is the InChIKey of [acetyloxy(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-6-yl)silyl] acetate?
The InChIKey is JGUMDSISUIHQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O6Si/c1-11(17)21-23(22-12(2)18)14-5-6-15-13(9-14)10-19-16(20-15)7-3-4-8-16/h5-6,9,23H,3-4,7-8,10H2,1-2H3.
What are the key properties of [acetyloxy(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-6-yl)silyl] acetate?
[acetyloxy(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-6-yl)silyl] acetate has a molecular weight of 336.42 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(spiro[4H-1,3-benzodioxine-2,1'-cyclopentane]-6-yl)silyl] acetate is sourced from PubChem (CID 164815734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).