[(2R)-2-acetyloxy-2-[(2S,3R,5S)-2-[tert-butyl(diphenyl)silyl]-2,5-dimethyl-1,4-dioxaspiro[2.2]pentan-5-yl]ethyl] acetate

C27H34O6Si — CID 10073991

IUPAC[(2R)-2-acetyloxy-2-[(2S,3R,5S)-2-[tert-butyl(diphenyl)silyl]-2,5-dimethyl-1,4-dioxaspiro[2.2]pentan-5-yl]ethyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)[C@]1(C)O[C@@]12O[C@@]2(C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H34O6Si/c1-19(28)30-18-23(31-20(2)29)25(6)27(32-25)26(7,33-27)34(24(3,4)5,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,23H,18H2,1-7H3/t23-,25+,26+,27-/m1/s1
InChIKeyVIRYTPRPPCHOHO-GYUKIKGESA-N
MW482.65 g/mol
LogP3.36
Rot. Bonds7

About [(2R)-2-acetyloxy-2-[(2S,3R,5S)-2-[tert-butyl(diphenyl)silyl]-2,5-dimethyl-1,4-dioxaspiro[2.2]pentan-5-yl]ethyl] acetate

[(2R)-2-acetyloxy-2-[(2S,3R,5S)-2-[tert-butyl(diphenyl)silyl]-2,5-dimethyl-1,4-dioxaspiro[2.2]pentan-5-yl]ethyl] acetate (PubChem CID 10073991) has the molecular formula C27H34O6Si and a molecular weight of 482.65 g/mol. Its IUPAC name is [(2R)-2-acetyloxy-2-[(2S,3R,5S)-2-[tert-butyl(diphenyl)silyl]-2,5-dimethyl-1,4-dioxaspiro[2.2]pentan-5-yl]ethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-acetyloxy-2-[(2S,3R,5S)-2-[tert-butyl(diphenyl)silyl]-2,5-dimethyl-1,4-dioxaspiro[2.2]pentan-5-yl]ethyl] acetate
PubChem CID10073991
Molecular FormulaC27H34O6Si
Molecular Weight482.65 g/mol
Exact Mass482.21
IUPAC Name[(2R)-2-acetyloxy-2-[(2S,3R,5S)-2-[tert-butyl(diphenyl)silyl]-2,5-dimethyl-1,4-dioxaspiro[2.2]pentan-5-yl]ethyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)[C@]1(C)O[C@@]12O[C@@]2(C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H34O6Si/c1-19(28)30-18-23(31-20(2)29)25(6)27(32-25)26(7,33-27)34(24(3,4)5,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,23H,18H2,1-7H3/t23-,25+,26+,27-/m1/s1
InChIKeyVIRYTPRPPCHOHO-GYUKIKGESA-N
XLogP3.36
TPSA77.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxy-2-[(2S,3R,5S)-2-[tert-butyl(diphenyl)silyl]-2,5-dimethyl-1,4-dioxaspiro[2.2]pentan-5-yl]ethyl] acetate?
The IUPAC name of [(2R)-2-acetyloxy-2-[(2S,3R,5S)-2-[tert-butyl(diphenyl)silyl]-2,5-dimethyl-1,4-dioxaspiro[2.2]pentan-5-yl]ethyl] acetate (CID 10073991) is [(2R)-2-acetyloxy-2-[(2S,3R,5S)-2-[tert-butyl(diphenyl)silyl]-2,5-dimethyl-1,4-dioxaspiro[2.2]pentan-5-yl]ethyl] acetate.
What is the SMILES notation for [(2R)-2-acetyloxy-2-[(2S,3R,5S)-2-[tert-butyl(diphenyl)silyl]-2,5-dimethyl-1,4-dioxaspiro[2.2]pentan-5-yl]ethyl] acetate?
The canonical SMILES for [(2R)-2-acetyloxy-2-[(2S,3R,5S)-2-[tert-butyl(diphenyl)silyl]-2,5-dimethyl-1,4-dioxaspiro[2.2]pentan-5-yl]ethyl] acetate is CC(=O)OC[C@@H](OC(C)=O)[C@]1(C)O[C@@]12O[C@@]2(C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(2R)-2-acetyloxy-2-[(2S,3R,5S)-2-[tert-butyl(diphenyl)silyl]-2,5-dimethyl-1,4-dioxaspiro[2.2]pentan-5-yl]ethyl] acetate?
The InChIKey is VIRYTPRPPCHOHO-GYUKIKGESA-N. The full InChI is InChI=1S/C27H34O6Si/c1-19(28)30-18-23(31-20(2)29)25(6)27(32-25)26(7,33-27)34(24(3,4)5,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,23H,18H2,1-7H3/t23-,25+,26+,27-/m1/s1.
What are the key properties of [(2R)-2-acetyloxy-2-[(2S,3R,5S)-2-[tert-butyl(diphenyl)silyl]-2,5-dimethyl-1,4-dioxaspiro[2.2]pentan-5-yl]ethyl] acetate?
[(2R)-2-acetyloxy-2-[(2S,3R,5S)-2-[tert-butyl(diphenyl)silyl]-2,5-dimethyl-1,4-dioxaspiro[2.2]pentan-5-yl]ethyl] acetate has a molecular weight of 482.65 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-acetyloxy-2-[(2S,3R,5S)-2-[tert-butyl(diphenyl)silyl]-2,5-dimethyl-1,4-dioxaspiro[2.2]pentan-5-yl]ethyl] acetate is sourced from PubChem (CID 10073991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).