[(2S,3S,5R)-5-but-3-enyl-2-[(2R,4S,5S)-5-[(Z)-2-iodoprop-1-enyl]-4-methyloxolan-2-yl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane

C22H39IO3Si — CID 177413574

IUPAC[(2S,3S,5R)-5-but-3-enyl-2-[(2R,4S,5S)-5-[(Z)-2-iodoprop-1-enyl]-4-methyloxolan-2-yl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CCC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([C@H]2C[C@H](C)[C@@H](/C=C(/C)I)O2)O1
InChIInChI=1S/C22H39IO3Si/c1-9-10-11-17-14-20(26-27(7,8)22(4,5)6)21(24-17)19-12-15(2)18(25-19)13-16(3)23/h9,13,15,17-21H,1,10-12,14H2,2-8H3/b16-13-/t15-,17+,18+,19+,20-,21-/m0/s1
InChIKeyUDGDHYMIONZWGM-QXIFRPNXSA-N
MW506.54 g/mol
LogP6.63
Rot. Bonds7

About [(2S,3S,5R)-5-but-3-enyl-2-[(2R,4S,5S)-5-[(Z)-2-iodoprop-1-enyl]-4-methyloxolan-2-yl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane

[(2S,3S,5R)-5-but-3-enyl-2-[(2R,4S,5S)-5-[(Z)-2-iodoprop-1-enyl]-4-methyloxolan-2-yl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 177413574) has the molecular formula C22H39IO3Si and a molecular weight of 506.54 g/mol. Its IUPAC name is [(2S,3S,5R)-5-but-3-enyl-2-[(2R,4S,5S)-5-[(Z)-2-iodoprop-1-enyl]-4-methyloxolan-2-yl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3S,5R)-5-but-3-enyl-2-[(2R,4S,5S)-5-[(Z)-2-iodoprop-1-enyl]-4-methyloxolan-2-yl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID177413574
Molecular FormulaC22H39IO3Si
Molecular Weight506.54 g/mol
Exact Mass506.17
IUPAC Name[(2S,3S,5R)-5-but-3-enyl-2-[(2R,4S,5S)-5-[(Z)-2-iodoprop-1-enyl]-4-methyloxolan-2-yl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CCC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([C@H]2C[C@H](C)[C@@H](/C=C(/C)I)O2)O1
InChIInChI=1S/C22H39IO3Si/c1-9-10-11-17-14-20(26-27(7,8)22(4,5)6)21(24-17)19-12-15(2)18(25-19)13-16(3)23/h9,13,15,17-21H,1,10-12,14H2,2-8H3/b16-13-/t15-,17+,18+,19+,20-,21-/m0/s1
InChIKeyUDGDHYMIONZWGM-QXIFRPNXSA-N
XLogP6.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.54
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,5R)-5-but-3-enyl-2-[(2R,4S,5S)-5-[(Z)-2-iodoprop-1-enyl]-4-methyloxolan-2-yl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3S,5R)-5-but-3-enyl-2-[(2R,4S,5S)-5-[(Z)-2-iodoprop-1-enyl]-4-methyloxolan-2-yl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane (CID 177413574) is [(2S,3S,5R)-5-but-3-enyl-2-[(2R,4S,5S)-5-[(Z)-2-iodoprop-1-enyl]-4-methyloxolan-2-yl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3S,5R)-5-but-3-enyl-2-[(2R,4S,5S)-5-[(Z)-2-iodoprop-1-enyl]-4-methyloxolan-2-yl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3S,5R)-5-but-3-enyl-2-[(2R,4S,5S)-5-[(Z)-2-iodoprop-1-enyl]-4-methyloxolan-2-yl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane is C=CCC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([C@H]2C[C@H](C)[C@@H](/C=C(/C)I)O2)O1.
What is the InChIKey of [(2S,3S,5R)-5-but-3-enyl-2-[(2R,4S,5S)-5-[(Z)-2-iodoprop-1-enyl]-4-methyloxolan-2-yl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is UDGDHYMIONZWGM-QXIFRPNXSA-N. The full InChI is InChI=1S/C22H39IO3Si/c1-9-10-11-17-14-20(26-27(7,8)22(4,5)6)21(24-17)19-12-15(2)18(25-19)13-16(3)23/h9,13,15,17-21H,1,10-12,14H2,2-8H3/b16-13-/t15-,17+,18+,19+,20-,21-/m0/s1.
What are the key properties of [(2S,3S,5R)-5-but-3-enyl-2-[(2R,4S,5S)-5-[(Z)-2-iodoprop-1-enyl]-4-methyloxolan-2-yl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane?
[(2S,3S,5R)-5-but-3-enyl-2-[(2R,4S,5S)-5-[(Z)-2-iodoprop-1-enyl]-4-methyloxolan-2-yl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 506.54 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,5R)-5-but-3-enyl-2-[(2R,4S,5S)-5-[(Z)-2-iodoprop-1-enyl]-4-methyloxolan-2-yl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 177413574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).