[(4Z)-12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl] acetate

C19H34O5Si — CID 167526425

IUPAC[(4Z)-12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl] acetate
SMILESCC[Si](CC)(CC)OC1CCCC(OC(C)=O)/C=C\CCOC(=O)C1
InChIInChI=1S/C19H34O5Si/c1-5-25(6-2,7-3)24-18-13-10-12-17(23-16(4)20)11-8-9-14-22-19(21)15-18/h8,11,17-18H,5-7,9-10,12-15H2,1-4H3/b11-8-
InChIKeyYTBQZFBDEHDIAH-FLIBITNWSA-N
MW370.56 g/mol
LogP4.37
Rot. Bonds6

About [(4Z)-12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl] acetate

[(4Z)-12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl] acetate (PubChem CID 167526425) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is [(4Z)-12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl] acetate.

Molecular Properties

Compound Name[(4Z)-12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl] acetate
PubChem CID167526425
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Name[(4Z)-12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl] acetate
SMILESCC[Si](CC)(CC)OC1CCCC(OC(C)=O)/C=C\CCOC(=O)C1
InChIInChI=1S/C19H34O5Si/c1-5-25(6-2,7-3)24-18-13-10-12-17(23-16(4)20)11-8-9-14-22-19(21)15-18/h8,11,17-18H,5-7,9-10,12-15H2,1-4H3/b11-8-
InChIKeyYTBQZFBDEHDIAH-FLIBITNWSA-N
XLogP4.37
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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
(11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one
CID 11727960
methyl (3S,5R,6E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxynona-6,8-dienoate
CID 72948036
Methyl 13-trimethylsiloxy-9,10-epoxy-11-octadecenoate
CID 86200897
(1R,4S,13S,14S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[(1E,4E)-6-methylhepta-1,4,6-trienyl]-2,9,10,12-tetramethylidene-5,15-dioxabicyclo[12.1.0]pentadecan-6-one
CID 134983385
Methyl (Z)-12,13-bis(trimethylsilyloxy)-11-methoxy-9-octadecenoate
CID 5366742
Methyl (13S)-(E)-13-trimethylsilyloxy-9,10-dimethoxy-11-octadecenoate
CID 5375614
methyl (Z)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-9-enoate
CID 5376168
2-Furanoctanoic acid, tetrahydro-eta,4-bis[(trimethylsilyl)oxy]-5-[3-[(trimethylsilyl)oxy]-1-octenyl]-, methyl ester
CID 5377100
2-Furanoctanoic acid, tetrahydro-eta,4-bis[(trimethylsilyl)oxy]-5-[3-[(trimethylsilyl)oxy]-1-octenyl]-, trimethylsilyl ester
CID 5378607
methyl 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-13-[tert-butyl(dimethyl)silyl]oxytetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoate
CID 10895863
methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
CID 11783612

Frequently Asked Questions

What is the IUPAC name of [(4Z)-12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl] acetate?
The IUPAC name of [(4Z)-12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl] acetate (CID 167526425) is [(4Z)-12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl] acetate.
What is the SMILES notation for [(4Z)-12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl] acetate?
The canonical SMILES for [(4Z)-12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl] acetate is CC[Si](CC)(CC)OC1CCCC(OC(C)=O)/C=C\CCOC(=O)C1.
What is the InChIKey of [(4Z)-12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl] acetate?
The InChIKey is YTBQZFBDEHDIAH-FLIBITNWSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-5-25(6-2,7-3)24-18-13-10-12-17(23-16(4)20)11-8-9-14-22-19(21)15-18/h8,11,17-18H,5-7,9-10,12-15H2,1-4H3/b11-8-.
What are the key properties of [(4Z)-12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl] acetate?
[(4Z)-12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl] acetate has a molecular weight of 370.56 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl] acetate is sourced from PubChem (CID 167526425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).