1-[(2R,5R)-5-[(1R,2E)-5-methyl-1-triethylsilyloxyhexa-2,4-dienyl]oxolan-2-yl]propan-2-ol

C20H38O3Si — CID 11337192

IUPAC1-[(2R,5R)-5-[(1R,2E)-5-methyl-1-triethylsilyloxyhexa-2,4-dienyl]oxolan-2-yl]propan-2-ol
SMILESCC[Si](CC)(CC)O[C@H](/C=C/C=C(C)C)[C@H]1CC[C@H](CC(C)O)O1
InChIInChI=1S/C20H38O3Si/c1-7-24(8-2,9-3)23-20(12-10-11-16(4)5)19-14-13-18(22-19)15-17(6)21/h10-12,17-21H,7-9,13-15H2,1-6H3/b12-10+/t17?,18-,19-,20-/m1/s1
InChIKeyUNYZRYKLJKQZEI-UAVSDSFZSA-N
MW354.61 g/mol
LogP5.22
Rot. Bonds10

About 1-[(2R,5R)-5-[(1R,2E)-5-methyl-1-triethylsilyloxyhexa-2,4-dienyl]oxolan-2-yl]propan-2-ol

1-[(2R,5R)-5-[(1R,2E)-5-methyl-1-triethylsilyloxyhexa-2,4-dienyl]oxolan-2-yl]propan-2-ol (PubChem CID 11337192) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is 1-[(2R,5R)-5-[(1R,2E)-5-methyl-1-triethylsilyloxyhexa-2,4-dienyl]oxolan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(2R,5R)-5-[(1R,2E)-5-methyl-1-triethylsilyloxyhexa-2,4-dienyl]oxolan-2-yl]propan-2-ol
PubChem CID11337192
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name1-[(2R,5R)-5-[(1R,2E)-5-methyl-1-triethylsilyloxyhexa-2,4-dienyl]oxolan-2-yl]propan-2-ol
SMILESCC[Si](CC)(CC)O[C@H](/C=C/C=C(C)C)[C@H]1CC[C@H](CC(C)O)O1
InChIInChI=1S/C20H38O3Si/c1-7-24(8-2,9-3)23-20(12-10-11-16(4)5)19-14-13-18(22-19)15-17(6)21/h10-12,17-21H,7-9,13-15H2,1-6H3/b12-10+/t17?,18-,19-,20-/m1/s1
InChIKeyUNYZRYKLJKQZEI-UAVSDSFZSA-N
XLogP5.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2S,5R)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoic acid
CID 26183486
methyl 2-[5-(2-hydroxy(113C)propyl)(513C)oxolan-2-yl]propanoate
CID 101161874
(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid
CID 135023644
ethyl (E,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-triethylsilyloxybut-2-enoate
CID 135014806
(2R)-2-[(2R,5S)-5-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid
CID 51683760
(2R)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxolan-2-yl]propanal
CID 139777190
(2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid
CID 51693103
tert-butyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]propanoate
CID 11161978
[(2S)-1-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enyl]oxolan-2-yl]-4-methylpent-4-en-2-yl] prop-2-enoate
CID 52951901
2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid
CID 23872033
(2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxybutyl]oxolan-2-yl]propanoic acid
CID 51693111
tert-butyl-[(1R)-1-[(2R,5R)-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolan-2-yl]-3-methylbut-2-enoxy]-dimethylsilane
CID 52951766

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-5-[(1R,2E)-5-methyl-1-triethylsilyloxyhexa-2,4-dienyl]oxolan-2-yl]propan-2-ol?
The IUPAC name of 1-[(2R,5R)-5-[(1R,2E)-5-methyl-1-triethylsilyloxyhexa-2,4-dienyl]oxolan-2-yl]propan-2-ol (CID 11337192) is 1-[(2R,5R)-5-[(1R,2E)-5-methyl-1-triethylsilyloxyhexa-2,4-dienyl]oxolan-2-yl]propan-2-ol.
What is the SMILES notation for 1-[(2R,5R)-5-[(1R,2E)-5-methyl-1-triethylsilyloxyhexa-2,4-dienyl]oxolan-2-yl]propan-2-ol?
The canonical SMILES for 1-[(2R,5R)-5-[(1R,2E)-5-methyl-1-triethylsilyloxyhexa-2,4-dienyl]oxolan-2-yl]propan-2-ol is CC[Si](CC)(CC)O[C@H](/C=C/C=C(C)C)[C@H]1CC[C@H](CC(C)O)O1.
What is the InChIKey of 1-[(2R,5R)-5-[(1R,2E)-5-methyl-1-triethylsilyloxyhexa-2,4-dienyl]oxolan-2-yl]propan-2-ol?
The InChIKey is UNYZRYKLJKQZEI-UAVSDSFZSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-7-24(8-2,9-3)23-20(12-10-11-16(4)5)19-14-13-18(22-19)15-17(6)21/h10-12,17-21H,7-9,13-15H2,1-6H3/b12-10+/t17?,18-,19-,20-/m1/s1.
What are the key properties of 1-[(2R,5R)-5-[(1R,2E)-5-methyl-1-triethylsilyloxyhexa-2,4-dienyl]oxolan-2-yl]propan-2-ol?
1-[(2R,5R)-5-[(1R,2E)-5-methyl-1-triethylsilyloxyhexa-2,4-dienyl]oxolan-2-yl]propan-2-ol has a molecular weight of 354.61 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-5-[(1R,2E)-5-methyl-1-triethylsilyloxyhexa-2,4-dienyl]oxolan-2-yl]propan-2-ol is sourced from PubChem (CID 11337192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).