[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidenenon-2-en-5-ynyl] acetate

C18H30O3Si — CID 102434980

IUPAC[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidenenon-2-en-5-ynyl] acetate
SMILESC=C(C#CCCCO[Si](C)(C)C(C)(C)C)/C=C/COC(C)=O
InChIInChI=1S/C18H30O3Si/c1-16(13-11-14-20-17(2)19)12-9-8-10-15-21-22(6,7)18(3,4)5/h11,13H,1,8,10,14-15H2,2-7H3/b13-11+
InChIKeyWMUYOYFHDZLASP-ACCUITESSA-N
MW322.52 g/mol
LogP4.47
Rot. Bonds7

About [(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidenenon-2-en-5-ynyl] acetate

[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidenenon-2-en-5-ynyl] acetate (PubChem CID 102434980) has the molecular formula C18H30O3Si and a molecular weight of 322.52 g/mol. Its IUPAC name is [(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidenenon-2-en-5-ynyl] acetate.

Molecular Properties

Compound Name[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidenenon-2-en-5-ynyl] acetate
PubChem CID102434980
Molecular FormulaC18H30O3Si
Molecular Weight322.52 g/mol
Exact Mass322.20
IUPAC Name[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidenenon-2-en-5-ynyl] acetate
SMILESC=C(C#CCCCO[Si](C)(C)C(C)(C)C)/C=C/COC(C)=O
InChIInChI=1S/C18H30O3Si/c1-16(13-11-14-20-17(2)19)12-9-8-10-15-21-22(6,7)18(3,4)5/h11,13H,1,8,10,14-15H2,2-7H3/b13-11+
InChIKeyWMUYOYFHDZLASP-ACCUITESSA-N
XLogP4.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10826090
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
5-[tert-butyl(dimethyl)silyl]oxypent-2-enamide
CID 72594662
(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
CID 87313123
tert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane
CID 23240903
[(E)-5,5-dimethyl-4-oxohex-2-enyl] acetate
CID 100943080
tert-butyl-dimethyl-octadec-17-enoxysilane
CID 24879926
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160
13-bromotridec-12-ynoxy-tert-butyl-dimethylsilane
CID 11222996
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
CID 87677044

Frequently Asked Questions

What is the IUPAC name of [(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidenenon-2-en-5-ynyl] acetate?
The IUPAC name of [(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidenenon-2-en-5-ynyl] acetate (CID 102434980) is [(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidenenon-2-en-5-ynyl] acetate.
What is the SMILES notation for [(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidenenon-2-en-5-ynyl] acetate?
The canonical SMILES for [(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidenenon-2-en-5-ynyl] acetate is C=C(C#CCCCO[Si](C)(C)C(C)(C)C)/C=C/COC(C)=O.
What is the InChIKey of [(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidenenon-2-en-5-ynyl] acetate?
The InChIKey is WMUYOYFHDZLASP-ACCUITESSA-N. The full InChI is InChI=1S/C18H30O3Si/c1-16(13-11-14-20-17(2)19)12-9-8-10-15-21-22(6,7)18(3,4)5/h11,13H,1,8,10,14-15H2,2-7H3/b13-11+.
What are the key properties of [(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidenenon-2-en-5-ynyl] acetate?
[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidenenon-2-en-5-ynyl] acetate has a molecular weight of 322.52 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidenenon-2-en-5-ynyl] acetate is sourced from PubChem (CID 102434980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).