[(2E,4R,5S)-4,5-bis(trimethylsilyloxy)hepta-2,6-dienyl] acetate

C15H30O4Si2 — CID 91998784

IUPAC[(2E,4R,5S)-4,5-bis(trimethylsilyloxy)hepta-2,6-dienyl] acetate
SMILESC=C[C@H](O[Si](C)(C)C)[C@@H](/C=C/COC(C)=O)O[Si](C)(C)C
InChIInChI=1S/C15H30O4Si2/c1-9-14(18-20(3,4)5)15(19-21(6,7)8)11-10-12-17-13(2)16/h9-11,14-15H,1,12H2,2-8H3/b11-10+/t14-,15+/m0/s1
InChIKeyJOKMNHRJBJHKCI-KZGTWKPJSA-N
MW330.57 g/mol
LogP3.73
Rot. Bonds9

About [(2E,4R,5S)-4,5-bis(trimethylsilyloxy)hepta-2,6-dienyl] acetate

[(2E,4R,5S)-4,5-bis(trimethylsilyloxy)hepta-2,6-dienyl] acetate (PubChem CID 91998784) has the molecular formula C15H30O4Si2 and a molecular weight of 330.57 g/mol. Its IUPAC name is [(2E,4R,5S)-4,5-bis(trimethylsilyloxy)hepta-2,6-dienyl] acetate.

Molecular Properties

Compound Name[(2E,4R,5S)-4,5-bis(trimethylsilyloxy)hepta-2,6-dienyl] acetate
PubChem CID91998784
Molecular FormulaC15H30O4Si2
Molecular Weight330.57 g/mol
Exact Mass330.17
IUPAC Name[(2E,4R,5S)-4,5-bis(trimethylsilyloxy)hepta-2,6-dienyl] acetate
SMILESC=C[C@H](O[Si](C)(C)C)[C@@H](/C=C/COC(C)=O)O[Si](C)(C)C
InChIInChI=1S/C15H30O4Si2/c1-9-14(18-20(3,4)5)15(19-21(6,7)8)11-10-12-17-13(2)16/h9-11,14-15H,1,12H2,2-8H3/b11-10+/t14-,15+/m0/s1
InChIKeyJOKMNHRJBJHKCI-KZGTWKPJSA-N
XLogP3.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.57
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate
CID 10838660
ethyl (E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enoate
CID 11825882
ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 14260361
[(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate
CID 14737941
[(2E,4R)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate
CID 15942569
[(2E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-2,5-dienyl] acetate
CID 91998780
[(2R,3S,6S)-3-acetyloxy-6-(1-trimethylsilylpropa-1,2-dienyl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 102355754
[(2S,3Z,6Z)-7-trimethylsilylhepta-3,6-dien-2-yl] acetate
CID 134916729
[(2E)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate
CID 134939781
[(Z,2R)-5-triethylsilyloxypent-3-en-2-yl] acetate
CID 135042727
[(2R,3R,6S)-3-triethylsilyloxy-2-(2-triethylsilylprop-2-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 101143423

Frequently Asked Questions

What is the IUPAC name of [(2E,4R,5S)-4,5-bis(trimethylsilyloxy)hepta-2,6-dienyl] acetate?
The IUPAC name of [(2E,4R,5S)-4,5-bis(trimethylsilyloxy)hepta-2,6-dienyl] acetate (CID 91998784) is [(2E,4R,5S)-4,5-bis(trimethylsilyloxy)hepta-2,6-dienyl] acetate.
What is the SMILES notation for [(2E,4R,5S)-4,5-bis(trimethylsilyloxy)hepta-2,6-dienyl] acetate?
The canonical SMILES for [(2E,4R,5S)-4,5-bis(trimethylsilyloxy)hepta-2,6-dienyl] acetate is C=C[C@H](O[Si](C)(C)C)[C@@H](/C=C/COC(C)=O)O[Si](C)(C)C.
What is the InChIKey of [(2E,4R,5S)-4,5-bis(trimethylsilyloxy)hepta-2,6-dienyl] acetate?
The InChIKey is JOKMNHRJBJHKCI-KZGTWKPJSA-N. The full InChI is InChI=1S/C15H30O4Si2/c1-9-14(18-20(3,4)5)15(19-21(6,7)8)11-10-12-17-13(2)16/h9-11,14-15H,1,12H2,2-8H3/b11-10+/t14-,15+/m0/s1.
What are the key properties of [(2E,4R,5S)-4,5-bis(trimethylsilyloxy)hepta-2,6-dienyl] acetate?
[(2E,4R,5S)-4,5-bis(trimethylsilyloxy)hepta-2,6-dienyl] acetate has a molecular weight of 330.57 g/mol, XLogP of 3.73, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4R,5S)-4,5-bis(trimethylsilyloxy)hepta-2,6-dienyl] acetate is sourced from PubChem (CID 91998784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).