2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(trimethylsilylmethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate

C26H52O4Si2 — CID 138969559

IUPAC2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(trimethylsilylmethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC[C@@H]1C/C(=C/[Si](C)(C)C)C[C@H](C(C)(C)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C26H52O4Si2/c1-24(2,3)23(27)28-15-14-21-16-20(18-31(9,10)11)17-22(30-21)26(7,8)19-29-32(12,13)25(4,5)6/h18,21-22H,14-17,19H2,1-13H3/b20-18-/t21-,22-/m1/s1
InChIKeyPDAZTXGPNNYBHV-UDPNJZSPSA-N
MW484.87 g/mol
LogP7.37
Rot. Bonds8

About 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(trimethylsilylmethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate

2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(trimethylsilylmethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate (PubChem CID 138969559) has the molecular formula C26H52O4Si2 and a molecular weight of 484.87 g/mol. Its IUPAC name is 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(trimethylsilylmethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(trimethylsilylmethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate
PubChem CID138969559
Molecular FormulaC26H52O4Si2
Molecular Weight484.87 g/mol
Exact Mass484.34
IUPAC Name2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(trimethylsilylmethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC[C@@H]1C/C(=C/[Si](C)(C)C)C[C@H](C(C)(C)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C26H52O4Si2/c1-24(2,3)23(27)28-15-14-21-16-20(18-31(9,10)11)17-22(30-21)26(7,8)19-29-32(12,13)25(4,5)6/h18,21-22H,14-17,19H2,1-13H3/b20-18-/t21-,22-/m1/s1
InChIKeyPDAZTXGPNNYBHV-UDPNJZSPSA-N
XLogP7.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.87
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,3S,6R)-3-methyl-6-(1-trimethylsilylprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate
CID 14636389
2-[(2R,6S)-6-(2-trimethylsilyloxyprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate
CID 11953445

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(trimethylsilylmethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(trimethylsilylmethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate (CID 138969559) is 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(trimethylsilylmethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(trimethylsilylmethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(trimethylsilylmethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC[C@@H]1C/C(=C/[Si](C)(C)C)C[C@H](C(C)(C)CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(trimethylsilylmethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate?
The InChIKey is PDAZTXGPNNYBHV-UDPNJZSPSA-N. The full InChI is InChI=1S/C26H52O4Si2/c1-24(2,3)23(27)28-15-14-21-16-20(18-31(9,10)11)17-22(30-21)26(7,8)19-29-32(12,13)25(4,5)6/h18,21-22H,14-17,19H2,1-13H3/b20-18-/t21-,22-/m1/s1.
What are the key properties of 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(trimethylsilylmethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate?
2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(trimethylsilylmethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate has a molecular weight of 484.87 g/mol, XLogP of 7.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(trimethylsilylmethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 138969559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).