[(2R,3S)-3-[(E,4R,5R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethyloct-2-enyl]-3-methyloxiran-2-yl]methanol

C26H54O4Si2 — CID 53329191

IUPAC[(2R,3S)-3-[(E,4R,5R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethyloct-2-enyl]-3-methyloxiran-2-yl]methanol
SMILESC/C(=C\[C@@H](C)[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@]1(C)O[C@@H]1CO
InChIInChI=1S/C26H54O4Si2/c1-19(17-26(10)23(18-27)28-26)15-20(2)22(30-32(13,14)25(7,8)9)16-21(3)29-31(11,12)24(4,5)6/h15,20-23,27H,16-18H2,1-14H3/b19-15+/t20-,21-,22-,23-,26+/m1/s1
InChIKeyUGJZDWKPDSZYOZ-IEIJSEQXSA-N
MW486.89 g/mol
LogP7.30
Rot. Bonds11

About [(2R,3S)-3-[(E,4R,5R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethyloct-2-enyl]-3-methyloxiran-2-yl]methanol

[(2R,3S)-3-[(E,4R,5R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethyloct-2-enyl]-3-methyloxiran-2-yl]methanol (PubChem CID 53329191) has the molecular formula C26H54O4Si2 and a molecular weight of 486.89 g/mol. Its IUPAC name is [(2R,3S)-3-[(E,4R,5R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethyloct-2-enyl]-3-methyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-[(E,4R,5R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethyloct-2-enyl]-3-methyloxiran-2-yl]methanol
PubChem CID53329191
Molecular FormulaC26H54O4Si2
Molecular Weight486.89 g/mol
Exact Mass486.36
IUPAC Name[(2R,3S)-3-[(E,4R,5R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethyloct-2-enyl]-3-methyloxiran-2-yl]methanol
SMILESC/C(=C\[C@@H](C)[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@]1(C)O[C@@H]1CO
InChIInChI=1S/C26H54O4Si2/c1-19(17-26(10)23(18-27)28-26)15-20(2)22(30-32(13,14)25(7,8)9)16-21(3)29-31(11,12)24(4,5)6/h15,20-23,27H,16-18H2,1-14H3/b19-15+/t20-,21-,22-,23-,26+/m1/s1
InChIKeyUGJZDWKPDSZYOZ-IEIJSEQXSA-N
XLogP7.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.89
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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,3S)-3-[(E,4R,5R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethyloct-2-enyl]-3-methyloxiran-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-[(E,4R,5R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethyloct-2-enyl]-3-methyloxiran-2-yl]methanol (CID 53329191) is [(2R,3S)-3-[(E,4R,5R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethyloct-2-enyl]-3-methyloxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-[(E,4R,5R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethyloct-2-enyl]-3-methyloxiran-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-[(E,4R,5R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethyloct-2-enyl]-3-methyloxiran-2-yl]methanol is C/C(=C\[C@@H](C)[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@]1(C)O[C@@H]1CO.
What is the InChIKey of [(2R,3S)-3-[(E,4R,5R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethyloct-2-enyl]-3-methyloxiran-2-yl]methanol?
The InChIKey is UGJZDWKPDSZYOZ-IEIJSEQXSA-N. The full InChI is InChI=1S/C26H54O4Si2/c1-19(17-26(10)23(18-27)28-26)15-20(2)22(30-32(13,14)25(7,8)9)16-21(3)29-31(11,12)24(4,5)6/h15,20-23,27H,16-18H2,1-14H3/b19-15+/t20-,21-,22-,23-,26+/m1/s1.
What are the key properties of [(2R,3S)-3-[(E,4R,5R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethyloct-2-enyl]-3-methyloxiran-2-yl]methanol?
[(2R,3S)-3-[(E,4R,5R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethyloct-2-enyl]-3-methyloxiran-2-yl]methanol has a molecular weight of 486.89 g/mol, XLogP of 7.30, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-[(E,4R,5R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethyloct-2-enyl]-3-methyloxiran-2-yl]methanol is sourced from PubChem (CID 53329191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).