[(E,4S)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxy-3-iodooct-2-enyl] acetate

C18H33IO5Si — CID 46188085

IUPAC[(E,4S)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxy-3-iodooct-2-enyl] acetate
SMILESCC(=O)OC/C=C(/I)[C@H](CCCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C18H33IO5Si/c1-14(20)22-13-11-16(19)17(24-15(2)21)10-8-9-12-23-25(6,7)18(3,4)5/h11,17H,8-10,12-13H2,1-7H3/b16-11+/t17-/m0/s1
InChIKeyWBVSJXCPAJTUKD-YTBHAWNYSA-N
MW484.45 g/mol
LogP4.99
Rot. Bonds10

About [(E,4S)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxy-3-iodooct-2-enyl] acetate

[(E,4S)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxy-3-iodooct-2-enyl] acetate (PubChem CID 46188085) has the molecular formula C18H33IO5Si and a molecular weight of 484.45 g/mol. Its IUPAC name is [(E,4S)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxy-3-iodooct-2-enyl] acetate.

Molecular Properties

Compound Name[(E,4S)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxy-3-iodooct-2-enyl] acetate
PubChem CID46188085
Molecular FormulaC18H33IO5Si
Molecular Weight484.45 g/mol
Exact Mass484.11
IUPAC Name[(E,4S)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxy-3-iodooct-2-enyl] acetate
SMILESCC(=O)OC/C=C(/I)[C@H](CCCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C18H33IO5Si/c1-14(20)22-13-11-16(19)17(24-15(2)21)10-8-9-12-23-25(6,7)18(3,4)5/h11,17H,8-10,12-13H2,1-7H3/b16-11+/t17-/m0/s1
InChIKeyWBVSJXCPAJTUKD-YTBHAWNYSA-N
XLogP4.99
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.45
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(E,4S,5R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-2-methylideneundec-6-enyl] acetate
CID 11292014
[(Z,4S,5R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-2-methylideneundec-6-enyl] acetate
CID 134935065
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-6-(oxiran-2-yl)hex-2-enoate
CID 138984022
[(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methyl acetate
CID 57016053
[(2R,6E,8E,10R,12S)-14-[tert-butyl(dimethyl)silyl]oxy-10,12-dimethoxytetradeca-6,8-dien-2-yl] acetate
CID 11123112
[(E,2E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-iodohept-5-enyl] acetate
CID 11156200
3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one
CID 11386171
methyl (E,4R)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 11405217
[(Z,2R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-3-en-2-yl] acetate
CID 11666804
[(1S,4R)-4-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-yl] acetate
CID 14263264
[(1S,4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohept-2-en-1-yl] acetate
CID 14263269
methyl (E)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 15466795

Frequently Asked Questions

What is the IUPAC name of [(E,4S)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxy-3-iodooct-2-enyl] acetate?
The IUPAC name of [(E,4S)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxy-3-iodooct-2-enyl] acetate (CID 46188085) is [(E,4S)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxy-3-iodooct-2-enyl] acetate.
What is the SMILES notation for [(E,4S)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxy-3-iodooct-2-enyl] acetate?
The canonical SMILES for [(E,4S)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxy-3-iodooct-2-enyl] acetate is CC(=O)OC/C=C(/I)[C@H](CCCCO[Si](C)(C)C(C)(C)C)OC(C)=O.
What is the InChIKey of [(E,4S)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxy-3-iodooct-2-enyl] acetate?
The InChIKey is WBVSJXCPAJTUKD-YTBHAWNYSA-N. The full InChI is InChI=1S/C18H33IO5Si/c1-14(20)22-13-11-16(19)17(24-15(2)21)10-8-9-12-23-25(6,7)18(3,4)5/h11,17H,8-10,12-13H2,1-7H3/b16-11+/t17-/m0/s1.
What are the key properties of [(E,4S)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxy-3-iodooct-2-enyl] acetate?
[(E,4S)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxy-3-iodooct-2-enyl] acetate has a molecular weight of 484.45 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4S)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxy-3-iodooct-2-enyl] acetate is sourced from PubChem (CID 46188085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).