(4S,5R)-4-ethenyl-5-[(2S,5S,6R)-5-hydroxy-2,6-dimethyl-2-trimethylsilyloxyoct-7-enyl]oxolan-2-one

C19H34O4Si — CID 46201119

IUPAC(4S,5R)-4-ethenyl-5-[(2S,5S,6R)-5-hydroxy-2,6-dimethyl-2-trimethylsilyloxyoct-7-enyl]oxolan-2-one
SMILESC=C[C@@H](C)[C@@H](O)CC[C@@](C)(C[C@H]1OC(=O)C[C@H]1C=C)O[Si](C)(C)C
InChIInChI=1S/C19H34O4Si/c1-8-14(3)16(20)10-11-19(4,23-24(5,6)7)13-17-15(9-2)12-18(21)22-17/h8-9,14-17,20H,1-2,10-13H2,3-7H3/t14-,15-,16+,17-,19+/m1/s1
InChIKeyFYIFHNSZWGYBNI-ILYVXUQDSA-N
MW354.56 g/mol
LogP4.07
Rot. Bonds10

About (4S,5R)-4-ethenyl-5-[(2S,5S,6R)-5-hydroxy-2,6-dimethyl-2-trimethylsilyloxyoct-7-enyl]oxolan-2-one

(4S,5R)-4-ethenyl-5-[(2S,5S,6R)-5-hydroxy-2,6-dimethyl-2-trimethylsilyloxyoct-7-enyl]oxolan-2-one (PubChem CID 46201119) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is (4S,5R)-4-ethenyl-5-[(2S,5S,6R)-5-hydroxy-2,6-dimethyl-2-trimethylsilyloxyoct-7-enyl]oxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-ethenyl-5-[(2S,5S,6R)-5-hydroxy-2,6-dimethyl-2-trimethylsilyloxyoct-7-enyl]oxolan-2-one
PubChem CID46201119
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Name(4S,5R)-4-ethenyl-5-[(2S,5S,6R)-5-hydroxy-2,6-dimethyl-2-trimethylsilyloxyoct-7-enyl]oxolan-2-one
SMILESC=C[C@@H](C)[C@@H](O)CC[C@@](C)(C[C@H]1OC(=O)C[C@H]1C=C)O[Si](C)(C)C
InChIInChI=1S/C19H34O4Si/c1-8-14(3)16(20)10-11-19(4,23-24(5,6)7)13-17-15(9-2)12-18(21)22-17/h8-9,14-17,20H,1-2,10-13H2,3-7H3/t14-,15-,16+,17-,19+/m1/s1
InChIKeyFYIFHNSZWGYBNI-ILYVXUQDSA-N
XLogP4.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.07
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'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-ethenyl-5-[(2S,5S,6R)-5-hydroxy-2,6-dimethyl-2-trimethylsilyloxyoct-7-enyl]oxolan-2-one?
The IUPAC name of (4S,5R)-4-ethenyl-5-[(2S,5S,6R)-5-hydroxy-2,6-dimethyl-2-trimethylsilyloxyoct-7-enyl]oxolan-2-one (CID 46201119) is (4S,5R)-4-ethenyl-5-[(2S,5S,6R)-5-hydroxy-2,6-dimethyl-2-trimethylsilyloxyoct-7-enyl]oxolan-2-one.
What is the SMILES notation for (4S,5R)-4-ethenyl-5-[(2S,5S,6R)-5-hydroxy-2,6-dimethyl-2-trimethylsilyloxyoct-7-enyl]oxolan-2-one?
The canonical SMILES for (4S,5R)-4-ethenyl-5-[(2S,5S,6R)-5-hydroxy-2,6-dimethyl-2-trimethylsilyloxyoct-7-enyl]oxolan-2-one is C=C[C@@H](C)[C@@H](O)CC[C@@](C)(C[C@H]1OC(=O)C[C@H]1C=C)O[Si](C)(C)C.
What is the InChIKey of (4S,5R)-4-ethenyl-5-[(2S,5S,6R)-5-hydroxy-2,6-dimethyl-2-trimethylsilyloxyoct-7-enyl]oxolan-2-one?
The InChIKey is FYIFHNSZWGYBNI-ILYVXUQDSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-8-14(3)16(20)10-11-19(4,23-24(5,6)7)13-17-15(9-2)12-18(21)22-17/h8-9,14-17,20H,1-2,10-13H2,3-7H3/t14-,15-,16+,17-,19+/m1/s1.
What are the key properties of (4S,5R)-4-ethenyl-5-[(2S,5S,6R)-5-hydroxy-2,6-dimethyl-2-trimethylsilyloxyoct-7-enyl]oxolan-2-one?
(4S,5R)-4-ethenyl-5-[(2S,5S,6R)-5-hydroxy-2,6-dimethyl-2-trimethylsilyloxyoct-7-enyl]oxolan-2-one has a molecular weight of 354.56 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-ethenyl-5-[(2S,5S,6R)-5-hydroxy-2,6-dimethyl-2-trimethylsilyloxyoct-7-enyl]oxolan-2-one is sourced from PubChem (CID 46201119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).