[diacetyloxy(anthracen-9-yl)silyl] acetate

C20H18O6Si — CID 175144340

IUPAC[diacetyloxy(anthracen-9-yl)silyl] acetate
SMILESCC(=O)O[Si](OC(C)=O)(OC(C)=O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H18O6Si/c1-13(21)24-27(25-14(2)22,26-15(3)23)20-18-10-6-4-8-16(18)12-17-9-5-7-11-19(17)20/h4-12H,1-3H3
InChIKeyIQWRGBYBXQVQKW-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.83
Rot. Bonds4

About [diacetyloxy(anthracen-9-yl)silyl] acetate

[diacetyloxy(anthracen-9-yl)silyl] acetate (PubChem CID 175144340) has the molecular formula C20H18O6Si and a molecular weight of 382.44 g/mol. Its IUPAC name is [diacetyloxy(anthracen-9-yl)silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy(anthracen-9-yl)silyl] acetate
PubChem CID175144340
Molecular FormulaC20H18O6Si
Molecular Weight382.44 g/mol
Exact Mass382.09
IUPAC Name[diacetyloxy(anthracen-9-yl)silyl] acetate
SMILESCC(=O)O[Si](OC(C)=O)(OC(C)=O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H18O6Si/c1-13(21)24-27(25-14(2)22,26-15(3)23)20-18-10-6-4-8-16(18)12-17-9-5-7-11-19(17)20/h4-12H,1-3H3
InChIKeyIQWRGBYBXQVQKW-UHFFFAOYSA-N
XLogP2.83
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

[dimethoxy(phenyl)silyl] acetate
CID 66889787
anthracen-9-ylmethyl acetate
CID 27876
di(anthracen-9-yl)-dimethoxysilane
CID 88898319
anthracen-9-yl(triethoxy)silane;9-bromoanthracene
CID 159949350
N-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine
CID 89292539
(2,3-dihydroxynaphthalen-1-yl) acetate
CID 154088408
anthracen-9-yl 2-methylbut-2-enoate
CID 173150522
(3-sulfanylnaphthalen-1-yl) acetate
CID 152863345
anthracene-9-carboxylic acid;trichloro(ethyl)silane
CID 87654089
3-(anthracene-9-carbonyl)pentane-2,4-dione
CID 102379798
(2-anthracen-9-yl-3-oxoprop-2-enyl) acetate
CID 154175956
[1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate
CID 10255362

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy(anthracen-9-yl)silyl] acetate?
The IUPAC name of [diacetyloxy(anthracen-9-yl)silyl] acetate (CID 175144340) is [diacetyloxy(anthracen-9-yl)silyl] acetate.
What is the SMILES notation for [diacetyloxy(anthracen-9-yl)silyl] acetate?
The canonical SMILES for [diacetyloxy(anthracen-9-yl)silyl] acetate is CC(=O)O[Si](OC(C)=O)(OC(C)=O)c1c2ccccc2cc2ccccc12.
What is the InChIKey of [diacetyloxy(anthracen-9-yl)silyl] acetate?
The InChIKey is IQWRGBYBXQVQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O6Si/c1-13(21)24-27(25-14(2)22,26-15(3)23)20-18-10-6-4-8-16(18)12-17-9-5-7-11-19(17)20/h4-12H,1-3H3.
What are the key properties of [diacetyloxy(anthracen-9-yl)silyl] acetate?
[diacetyloxy(anthracen-9-yl)silyl] acetate has a molecular weight of 382.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(anthracen-9-yl)silyl] acetate is sourced from PubChem (CID 175144340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).