methyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate

C22H40O6Si — CID 71489977

IUPACmethyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate
SMILESCOC(=O)CCC[C@@H](O)C[C@@H]1C/C(=C/[Si](C)(C)C)C[C@H](CC(=O)OC(C)(C)C)O1
InChIInChI=1S/C22H40O6Si/c1-22(2,3)28-21(25)14-19-12-16(15-29(5,6)7)11-18(27-19)13-17(23)9-8-10-20(24)26-4/h15,17-19,23H,8-14H2,1-7H3/b16-15-/t17-,18+,19-/m1/s1
InChIKeyQBEIBYVWOZIZON-WXWJAULMSA-N
MW428.64 g/mol
LogP4.16
Rot. Bonds9

About methyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate

methyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate (PubChem CID 71489977) has the molecular formula C22H40O6Si and a molecular weight of 428.64 g/mol. Its IUPAC name is methyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate.

Molecular Properties

Compound Namemethyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate
PubChem CID71489977
Molecular FormulaC22H40O6Si
Molecular Weight428.64 g/mol
Exact Mass428.26
IUPAC Namemethyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate
SMILESCOC(=O)CCC[C@@H](O)C[C@@H]1C/C(=C/[Si](C)(C)C)C[C@H](CC(=O)OC(C)(C)C)O1
InChIInChI=1S/C22H40O6Si/c1-22(2,3)28-21(25)14-19-12-16(15-29(5,6)7)11-18(27-19)13-17(23)9-8-10-20(24)26-4/h15,17-19,23H,8-14H2,1-7H3/b16-15-/t17-,18+,19-/m1/s1
InChIKeyQBEIBYVWOZIZON-WXWJAULMSA-N
XLogP4.16
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.64
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate?
The IUPAC name of methyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate (CID 71489977) is methyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate.
What is the SMILES notation for methyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate?
The canonical SMILES for methyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate is COC(=O)CCC[C@@H](O)C[C@@H]1C/C(=C/[Si](C)(C)C)C[C@H](CC(=O)OC(C)(C)C)O1.
What is the InChIKey of methyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate?
The InChIKey is QBEIBYVWOZIZON-WXWJAULMSA-N. The full InChI is InChI=1S/C22H40O6Si/c1-22(2,3)28-21(25)14-19-12-16(15-29(5,6)7)11-18(27-19)13-17(23)9-8-10-20(24)26-4/h15,17-19,23H,8-14H2,1-7H3/b16-15-/t17-,18+,19-/m1/s1.
What are the key properties of methyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate?
methyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate has a molecular weight of 428.64 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-hydroxy-6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]hexanoate is sourced from PubChem (CID 71489977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).