methyl (E,7R)-5-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate

C17H32O5Si — CID 11198742

IUPACmethyl (E,7R)-5-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
SMILESCOC(=O)/C=C/CC(C[C@@H](C)O[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C17H32O5Si/c1-13(22-23(7,8)17(3,4)5)12-15(21-14(2)18)10-9-11-16(19)20-6/h9,11,13,15H,10,12H2,1-8H3/b11-9+/t13-,15?/m1/s1
InChIKeyAHDALEZIAXIVOJ-DOYSDKGNSA-N
MW344.52 g/mol
LogP3.84
Rot. Bonds8

About methyl (E,7R)-5-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate

methyl (E,7R)-5-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate (PubChem CID 11198742) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is methyl (E,7R)-5-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate.

Molecular Properties

Compound Namemethyl (E,7R)-5-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
PubChem CID11198742
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Namemethyl (E,7R)-5-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
SMILESCOC(=O)/C=C/CC(C[C@@H](C)O[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C17H32O5Si/c1-13(22-23(7,8)17(3,4)5)12-15(21-14(2)18)10-9-11-16(19)20-6/h9,11,13,15H,10,12H2,1-8H3/b11-9+/t13-,15?/m1/s1
InChIKeyAHDALEZIAXIVOJ-DOYSDKGNSA-N
XLogP3.84
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate
CID 9823928
methyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 16066828
methyl (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 12192990
methyl (E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate
CID 44397378
methyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 14656184
methyl (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 44397488
[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
CID 134971110
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
Methyl (2E)-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-heptenoate
CID 11208037
tert-butyl (2E,4E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-2,4-dienoate
CID 11824407
(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
ethyl (2E,4S,5S,6R,8E,10E)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldodeca-2,8,10-trienoate
CID 71546755

Frequently Asked Questions

What is the IUPAC name of methyl (E,7R)-5-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate?
The IUPAC name of methyl (E,7R)-5-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate (CID 11198742) is methyl (E,7R)-5-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate.
What is the SMILES notation for methyl (E,7R)-5-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate?
The canonical SMILES for methyl (E,7R)-5-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate is COC(=O)/C=C/CC(C[C@@H](C)O[Si](C)(C)C(C)(C)C)OC(C)=O.
What is the InChIKey of methyl (E,7R)-5-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate?
The InChIKey is AHDALEZIAXIVOJ-DOYSDKGNSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-13(22-23(7,8)17(3,4)5)12-15(21-14(2)18)10-9-11-16(19)20-6/h9,11,13,15H,10,12H2,1-8H3/b11-9+/t13-,15?/m1/s1.
What are the key properties of methyl (E,7R)-5-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate?
methyl (E,7R)-5-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate has a molecular weight of 344.52 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,7R)-5-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate is sourced from PubChem (CID 11198742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).