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

C22H38O6Si — CID 71489649

IUPACmethyl 6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]-5-oxohexanoate
SMILESCOC(=O)CCCC(=O)C[C@@H]1C/C(=C/[Si](C)(C)C)C[C@H](CC(=O)OC(C)(C)C)O1
InChIInChI=1S/C22H38O6Si/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/h15,18-19H,8-14H2,1-7H3/b16-15-/t18-,19+/m0/s1
InChIKeyHWUHCOZNSFRSND-BLCFVWINSA-N
MW426.63 g/mol
LogP4.37
Rot. Bonds9

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

methyl 6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]-5-oxohexanoate (PubChem CID 71489649) has the molecular formula C22H38O6Si and a molecular weight of 426.63 g/mol. Its IUPAC name is methyl 6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]-5-oxohexanoate.

Molecular Properties

Compound Namemethyl 6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]-5-oxohexanoate
PubChem CID71489649
Molecular FormulaC22H38O6Si
Molecular Weight426.63 g/mol
Exact Mass426.24
IUPAC Namemethyl 6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]-5-oxohexanoate
SMILESCOC(=O)CCCC(=O)C[C@@H]1C/C(=C/[Si](C)(C)C)C[C@H](CC(=O)OC(C)(C)C)O1
InChIInChI=1S/C22H38O6Si/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/h15,18-19H,8-14H2,1-7H3/b16-15-/t18-,19+/m0/s1
InChIKeyHWUHCOZNSFRSND-BLCFVWINSA-N
XLogP4.37
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54383502
ditert-butyl pentanedioate
CID 3016405
1-O-tert-butyl 10-O-methyl (E)-dec-3-enedioate
CID 134993700
tert-butyl 4-(propylamino)butanoate
CID 22329227
acetic acid;tert-butyl 5-oxoheptanoate
CID 91473656
tert-butyl 14-(3-aminopropylamino)-5-oxotetradecanoate
CID 58260359
methyl 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-6-oxohexanoate
CID 164886523
1,3-bis(thietan-3-yl)propan-2-one;tert-butyl 2-(thietan-3-yl)acetate;methyl 2-(thietan-3-yl)acetate
CID 158219461
dimethyl pentanedioate;hydrochloride
CID 175168861
tert-butyl 6-oxotetradecanoate
CID 134901927
4-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]benzoic acid
CID 172541501
tert-butyl 4-(5-hydroxypentylamino)butanoate
CID 176899460

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]-5-oxohexanoate?
The IUPAC name of methyl 6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]-5-oxohexanoate (CID 71489649) is methyl 6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]-5-oxohexanoate.
What is the SMILES notation for methyl 6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]-5-oxohexanoate?
The canonical SMILES for methyl 6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]-5-oxohexanoate is COC(=O)CCCC(=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 6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]-5-oxohexanoate?
The InChIKey is HWUHCOZNSFRSND-BLCFVWINSA-N. The full InChI is InChI=1S/C22H38O6Si/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/h15,18-19H,8-14H2,1-7H3/b16-15-/t18-,19+/m0/s1.
What are the key properties of methyl 6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]-5-oxohexanoate?
methyl 6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]-5-oxohexanoate has a molecular weight of 426.63 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2S,4Z,6R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(trimethylsilylmethylidene)oxan-2-yl]-5-oxohexanoate is sourced from PubChem (CID 71489649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).