1-[(4R,5R)-5-[(2S,3S,4S,5E,7E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-8-trimethylsilylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone

C27H53NO3Si2 — CID 134879478

IUPAC1-[(4R,5R)-5-[(2S,3S,4S,5E,7E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-8-trimethylsilylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone
SMILESCC(=O)N1[C@H](C)[C@@H]([C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C(C)=C/[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C27H53NO3Si2/c1-19(18-32(11,12)13)16-17-20(2)24(31-33(14,15)26(6,7)8)21(3)25-22(4)28(23(5)29)27(9,10)30-25/h16-18,20-22,24-25H,1-15H3/b17-16+,19-18+/t20-,21+,22+,24-,25+/m0/s1
InChIKeyPOYRCYNVKRUQOR-SWSCKLLUSA-N
MW495.90 g/mol
LogP7.40
Rot. Bonds8

About 1-[(4R,5R)-5-[(2S,3S,4S,5E,7E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-8-trimethylsilylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone

1-[(4R,5R)-5-[(2S,3S,4S,5E,7E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-8-trimethylsilylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone (PubChem CID 134879478) has the molecular formula C27H53NO3Si2 and a molecular weight of 495.90 g/mol. Its IUPAC name is 1-[(4R,5R)-5-[(2S,3S,4S,5E,7E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-8-trimethylsilylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(4R,5R)-5-[(2S,3S,4S,5E,7E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-8-trimethylsilylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone
PubChem CID134879478
Molecular FormulaC27H53NO3Si2
Molecular Weight495.90 g/mol
Exact Mass495.36
IUPAC Name1-[(4R,5R)-5-[(2S,3S,4S,5E,7E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-8-trimethylsilylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone
SMILESCC(=O)N1[C@H](C)[C@@H]([C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C(C)=C/[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C27H53NO3Si2/c1-19(18-32(11,12)13)16-17-20(2)24(31-33(14,15)26(6,7)8)21(3)25-22(4)28(23(5)29)27(9,10)30-25/h16-18,20-22,24-25H,1-15H3/b17-16+,19-18+/t20-,21+,22+,24-,25+/m0/s1
InChIKeyPOYRCYNVKRUQOR-SWSCKLLUSA-N
XLogP7.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.90
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(4R,5R)-5-[(2S,3S,4S,5E,7E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-8-trimethylsilylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5R)-5-[(2S,3S,4S,5E,7E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-8-trimethylsilylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone?
The IUPAC name of 1-[(4R,5R)-5-[(2S,3S,4S,5E,7E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-8-trimethylsilylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone (CID 134879478) is 1-[(4R,5R)-5-[(2S,3S,4S,5E,7E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-8-trimethylsilylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[(4R,5R)-5-[(2S,3S,4S,5E,7E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-8-trimethylsilylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone?
The canonical SMILES for 1-[(4R,5R)-5-[(2S,3S,4S,5E,7E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-8-trimethylsilylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone is CC(=O)N1[C@H](C)[C@@H]([C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C(C)=C/[Si](C)(C)C)OC1(C)C.
What is the InChIKey of 1-[(4R,5R)-5-[(2S,3S,4S,5E,7E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-8-trimethylsilylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone?
The InChIKey is POYRCYNVKRUQOR-SWSCKLLUSA-N. The full InChI is InChI=1S/C27H53NO3Si2/c1-19(18-32(11,12)13)16-17-20(2)24(31-33(14,15)26(6,7)8)21(3)25-22(4)28(23(5)29)27(9,10)30-25/h16-18,20-22,24-25H,1-15H3/b17-16+,19-18+/t20-,21+,22+,24-,25+/m0/s1.
What are the key properties of 1-[(4R,5R)-5-[(2S,3S,4S,5E,7E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-8-trimethylsilylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone?
1-[(4R,5R)-5-[(2S,3S,4S,5E,7E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-8-trimethylsilylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone has a molecular weight of 495.90 g/mol, XLogP of 7.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,5R)-5-[(2S,3S,4S,5E,7E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-8-trimethylsilylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 134879478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).