2-[(2R,6S)-6-(2-trimethylsilyloxyprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate

C18H34O4Si — CID 11953445

IUPAC2-[(2R,6S)-6-(2-trimethylsilyloxyprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate
SMILESC=C(C[C@@H]1CCC[C@H](CCOC(=O)C(C)(C)C)O1)O[Si](C)(C)C
InChIInChI=1S/C18H34O4Si/c1-14(22-23(5,6)7)13-16-10-8-9-15(21-16)11-12-20-17(19)18(2,3)4/h15-16H,1,8-13H2,2-7H3/t15-,16+/m1/s1
InChIKeyDIBPMAKBDFPPFZ-CVEARBPZSA-N
MW342.55 g/mol
LogP4.66
Rot. Bonds7

About 2-[(2R,6S)-6-(2-trimethylsilyloxyprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate

2-[(2R,6S)-6-(2-trimethylsilyloxyprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate (PubChem CID 11953445) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is 2-[(2R,6S)-6-(2-trimethylsilyloxyprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[(2R,6S)-6-(2-trimethylsilyloxyprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate
PubChem CID11953445
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name2-[(2R,6S)-6-(2-trimethylsilyloxyprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate
SMILESC=C(C[C@@H]1CCC[C@H](CCOC(=O)C(C)(C)C)O1)O[Si](C)(C)C
InChIInChI=1S/C18H34O4Si/c1-14(22-23(5,6)7)13-16-10-8-9-15(21-16)11-12-20-17(19)18(2,3)4/h15-16H,1,8-13H2,2-7H3/t15-,16+/m1/s1
InChIKeyDIBPMAKBDFPPFZ-CVEARBPZSA-N
XLogP4.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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
[(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadec-14-en-6-yl] pent-4-enoate
CID 11826286
7-[Tert-butyl(dimethyl)silyl]oxydec-9-enyl propanoate
CID 102286143
4-[Tert-butyl(dimethyl)silyl]peroxytridec-1-en-6-yl 2,2-dimethylpropanoate
CID 102465937

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-6-(2-trimethylsilyloxyprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[(2R,6S)-6-(2-trimethylsilyloxyprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate (CID 11953445) is 2-[(2R,6S)-6-(2-trimethylsilyloxyprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[(2R,6S)-6-(2-trimethylsilyloxyprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[(2R,6S)-6-(2-trimethylsilyloxyprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate is C=C(C[C@@H]1CCC[C@H](CCOC(=O)C(C)(C)C)O1)O[Si](C)(C)C.
What is the InChIKey of 2-[(2R,6S)-6-(2-trimethylsilyloxyprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate?
The InChIKey is DIBPMAKBDFPPFZ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-14(22-23(5,6)7)13-16-10-8-9-15(21-16)11-12-20-17(19)18(2,3)4/h15-16H,1,8-13H2,2-7H3/t15-,16+/m1/s1.
What are the key properties of 2-[(2R,6S)-6-(2-trimethylsilyloxyprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate?
2-[(2R,6S)-6-(2-trimethylsilyloxyprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate has a molecular weight of 342.55 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-6-(2-trimethylsilyloxyprop-2-enyl)oxan-2-yl]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 11953445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).