ethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-oxodecanoate

C20H38O4Si — CID 10904744

IUPACethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-oxodecanoate
SMILESC=C[C@@H](C(=O)CC(=O)OCC)[C@@H](CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O4Si/c1-9-12-13-14-18(24-25(7,8)20(4,5)6)16(10-2)17(21)15-19(22)23-11-3/h10,16,18H,2,9,11-15H2,1,3-8H3/t16-,18+/m0/s1
InChIKeyLWCQWYNSPGUYML-FUHWJXTLSA-N
MW370.61 g/mol
LogP5.28
Rot. Bonds12

About ethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-oxodecanoate

ethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-oxodecanoate (PubChem CID 10904744) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is ethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-oxodecanoate.

Molecular Properties

Compound Nameethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-oxodecanoate
PubChem CID10904744
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Nameethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-oxodecanoate
SMILESC=C[C@@H](C(=O)CC(=O)OCC)[C@@H](CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O4Si/c1-9-12-13-14-18(24-25(7,8)20(4,5)6)16(10-2)17(21)15-19(22)23-11-3/h10,16,18H,2,9,11-15H2,1,3-8H3/t16-,18+/m0/s1
InChIKeyLWCQWYNSPGUYML-FUHWJXTLSA-N
XLogP5.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.61
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-prop-2-enyloxan-2-one
CID 11150688
[(3R,4R,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-8-methylidene-5-oxodec-1-en-3-yl] propanoate
CID 10319408
(4R,5S,8S)-8-[(2R)-but-3-en-2-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxocan-2-one
CID 10914388
(4R,6S,7S,8R,12R)-12-ethyl-7-methyl-4-[(E)-2-tributylstannylethenyl]-6-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-oxacyclododecan-2-one
CID 10941869
tert-butyl (1R,3Z,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4-methyl-9-oxocyclonon-3-ene-1-carboxylate
CID 11372492
(6S,7R,8S,9R,10R,11E,14R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-14-ethenyl-10-methoxy-7,9,12-trimethyl-1-oxacyclotetradec-11-ene-2,4-dione
CID 11490144
(3S,4R)-4-[(E,2R,3R,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-3,5-dimethylnon-7-enyl]-3-ethyloxetan-2-one
CID 11495287
1-[(2S,3R,6S)-6-prop-2-enyl-2-[2-tri(propan-2-yl)silyloxyethyl]oxan-3-yl]ethanone
CID 11624849
tert-butyl (3Z,7S,8R)-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-9-oxocyclonon-3-ene-1-carboxylate
CID 11718207
(6S,7S,9E,12R)-6-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyl-12-[(2S)-4-oxopentan-2-yl]-1-oxacyclododec-9-en-2-one
CID 12000578
ethyl (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-oxohept-6-enoate
CID 12003279
ethyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-enoate
CID 12170568

Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-oxodecanoate?
The IUPAC name of ethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-oxodecanoate (CID 10904744) is ethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-oxodecanoate.
What is the SMILES notation for ethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-oxodecanoate?
The canonical SMILES for ethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-oxodecanoate is C=C[C@@H](C(=O)CC(=O)OCC)[C@@H](CCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-oxodecanoate?
The InChIKey is LWCQWYNSPGUYML-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-9-12-13-14-18(24-25(7,8)20(4,5)6)16(10-2)17(21)15-19(22)23-11-3/h10,16,18H,2,9,11-15H2,1,3-8H3/t16-,18+/m0/s1.
What are the key properties of ethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-oxodecanoate?
ethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-oxodecanoate has a molecular weight of 370.61 g/mol, XLogP of 5.28, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3-oxodecanoate is sourced from PubChem (CID 10904744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).