[(2R,3R,4S)-2-acetyloxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methylhex-5-enyl] acetate

C27H36O6Si — CID 10345254

IUPAC[(2R,3R,4S)-2-acetyloxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methylhex-5-enyl] acetate
SMILESC=C[C@H](O)[C@@](C)(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](COC(C)=O)OC(C)=O
InChIInChI=1S/C27H36O6Si/c1-8-24(30)27(7,25(32-21(3)29)19-31-20(2)28)33-34(26(4,5)6,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h8-18,24-25,30H,1,19H2,2-7H3/t24-,25+,27+/m0/s1
InChIKeyAKSUHDUANRVFHQ-ZWEKWIFMSA-N
MW484.67 g/mol
LogP3.36
Rot. Bonds10

About [(2R,3R,4S)-2-acetyloxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methylhex-5-enyl] acetate

[(2R,3R,4S)-2-acetyloxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methylhex-5-enyl] acetate (PubChem CID 10345254) has the molecular formula C27H36O6Si and a molecular weight of 484.67 g/mol. Its IUPAC name is [(2R,3R,4S)-2-acetyloxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methylhex-5-enyl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S)-2-acetyloxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methylhex-5-enyl] acetate
PubChem CID10345254
Molecular FormulaC27H36O6Si
Molecular Weight484.67 g/mol
Exact Mass484.23
IUPAC Name[(2R,3R,4S)-2-acetyloxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methylhex-5-enyl] acetate
SMILESC=C[C@H](O)[C@@](C)(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](COC(C)=O)OC(C)=O
InChIInChI=1S/C27H36O6Si/c1-8-24(30)27(7,25(32-21(3)29)19-31-20(2)28)33-34(26(4,5)6,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h8-18,24-25,30H,1,19H2,2-7H3/t24-,25+,27+/m0/s1
InChIKeyAKSUHDUANRVFHQ-ZWEKWIFMSA-N
XLogP3.36
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-2-acetyloxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methylhex-5-enyl] acetate?
The IUPAC name of [(2R,3R,4S)-2-acetyloxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methylhex-5-enyl] acetate (CID 10345254) is [(2R,3R,4S)-2-acetyloxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methylhex-5-enyl] acetate.
What is the SMILES notation for [(2R,3R,4S)-2-acetyloxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methylhex-5-enyl] acetate?
The canonical SMILES for [(2R,3R,4S)-2-acetyloxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methylhex-5-enyl] acetate is C=C[C@H](O)[C@@](C)(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](COC(C)=O)OC(C)=O.
What is the InChIKey of [(2R,3R,4S)-2-acetyloxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methylhex-5-enyl] acetate?
The InChIKey is AKSUHDUANRVFHQ-ZWEKWIFMSA-N. The full InChI is InChI=1S/C27H36O6Si/c1-8-24(30)27(7,25(32-21(3)29)19-31-20(2)28)33-34(26(4,5)6,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h8-18,24-25,30H,1,19H2,2-7H3/t24-,25+,27+/m0/s1.
What are the key properties of [(2R,3R,4S)-2-acetyloxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methylhex-5-enyl] acetate?
[(2R,3R,4S)-2-acetyloxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methylhex-5-enyl] acetate has a molecular weight of 484.67 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-2-acetyloxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methylhex-5-enyl] acetate is sourced from PubChem (CID 10345254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).