[acetyloxy-tert-butyl-[2-[diacetyloxy(tert-butyl)silyl]ethyl]silyl] acetate

C18H34O8Si2 — CID 87145663

IUPAC[acetyloxy-tert-butyl-[2-[diacetyloxy(tert-butyl)silyl]ethyl]silyl] acetate
SMILESCC(=O)O[Si](CC[Si](OC(C)=O)(OC(C)=O)C(C)(C)C)(OC(C)=O)C(C)(C)C
InChIInChI=1S/C18H34O8Si2/c1-13(19)23-27(17(5,6)7,24-14(2)20)11-12-28(18(8,9)10,25-15(3)21)26-16(4)22/h11-12H2,1-10H3
InChIKeyCKGAZAKYSRAZGC-UHFFFAOYSA-N
MW434.63 g/mol
LogP3.72
Rot. Bonds7

About [acetyloxy-tert-butyl-[2-[diacetyloxy(tert-butyl)silyl]ethyl]silyl] acetate

[acetyloxy-tert-butyl-[2-[diacetyloxy(tert-butyl)silyl]ethyl]silyl] acetate (PubChem CID 87145663) has the molecular formula C18H34O8Si2 and a molecular weight of 434.63 g/mol. Its IUPAC name is [acetyloxy-tert-butyl-[2-[diacetyloxy(tert-butyl)silyl]ethyl]silyl] acetate.

Molecular Properties

Compound Name[acetyloxy-tert-butyl-[2-[diacetyloxy(tert-butyl)silyl]ethyl]silyl] acetate
PubChem CID87145663
Molecular FormulaC18H34O8Si2
Molecular Weight434.63 g/mol
Exact Mass434.18
IUPAC Name[acetyloxy-tert-butyl-[2-[diacetyloxy(tert-butyl)silyl]ethyl]silyl] acetate
SMILESCC(=O)O[Si](CC[Si](OC(C)=O)(OC(C)=O)C(C)(C)C)(OC(C)=O)C(C)(C)C
InChIInChI=1S/C18H34O8Si2/c1-13(19)23-27(17(5,6)7,24-14(2)20)11-12-28(18(8,9)10,25-15(3)21)26-16(4)22/h11-12H2,1-10H3
InChIKeyCKGAZAKYSRAZGC-UHFFFAOYSA-N
XLogP3.72
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.63
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [acetyloxy-tert-butyl-[2-[diacetyloxy(tert-butyl)silyl]ethyl]silyl] acetate?
The IUPAC name of [acetyloxy-tert-butyl-[2-[diacetyloxy(tert-butyl)silyl]ethyl]silyl] acetate (CID 87145663) is [acetyloxy-tert-butyl-[2-[diacetyloxy(tert-butyl)silyl]ethyl]silyl] acetate.
What is the SMILES notation for [acetyloxy-tert-butyl-[2-[diacetyloxy(tert-butyl)silyl]ethyl]silyl] acetate?
The canonical SMILES for [acetyloxy-tert-butyl-[2-[diacetyloxy(tert-butyl)silyl]ethyl]silyl] acetate is CC(=O)O[Si](CC[Si](OC(C)=O)(OC(C)=O)C(C)(C)C)(OC(C)=O)C(C)(C)C.
What is the InChIKey of [acetyloxy-tert-butyl-[2-[diacetyloxy(tert-butyl)silyl]ethyl]silyl] acetate?
The InChIKey is CKGAZAKYSRAZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O8Si2/c1-13(19)23-27(17(5,6)7,24-14(2)20)11-12-28(18(8,9)10,25-15(3)21)26-16(4)22/h11-12H2,1-10H3.
What are the key properties of [acetyloxy-tert-butyl-[2-[diacetyloxy(tert-butyl)silyl]ethyl]silyl] acetate?
[acetyloxy-tert-butyl-[2-[diacetyloxy(tert-butyl)silyl]ethyl]silyl] acetate has a molecular weight of 434.63 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-tert-butyl-[2-[diacetyloxy(tert-butyl)silyl]ethyl]silyl] acetate is sourced from PubChem (CID 87145663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).