triethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane

C33H60O3Si2 — CID 11613803

IUPACtriethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane
SMILESC=CCOC/C=C/[C@H](O[C@@H](C=C)CCCC#C[Si](C(C)C)(C(C)C)C(C)C)[C@H](C=C)O[Si](CC)(CC)CC
InChIInChI=1S/C33H60O3Si2/c1-13-25-34-26-22-24-33(32(15-3)36-37(16-4,17-5)18-6)35-31(14-2)23-20-19-21-27-38(28(7)8,29(9)10)30(11)12/h13-15,22,24,28-33H,1-3,16-20,23,25-26H2,4-12H3/b24-22+/t31-,32-,33-/m0/s1
InChIKeyROHWMHICJCKUFX-AIEUUNKWSA-N
MW561.01 g/mol
LogP9.65
Rot. Bonds21

About triethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane

triethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane (PubChem CID 11613803) has the molecular formula C33H60O3Si2 and a molecular weight of 561.01 g/mol. Its IUPAC name is triethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane
PubChem CID11613803
Molecular FormulaC33H60O3Si2
Molecular Weight561.01 g/mol
Exact Mass560.41
IUPAC Nametriethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane
SMILESC=CCOC/C=C/[C@H](O[C@@H](C=C)CCCC#C[Si](C(C)C)(C(C)C)C(C)C)[C@H](C=C)O[Si](CC)(CC)CC
InChIInChI=1S/C33H60O3Si2/c1-13-25-34-26-22-24-33(32(15-3)36-37(16-4,17-5)18-6)35-31(14-2)23-20-19-21-27-38(28(7)8,29(9)10)30(11)12/h13-15,22,24,28-33H,1-3,16-20,23,25-26H2,4-12H3/b24-22+/t31-,32-,33-/m0/s1
InChIKeyROHWMHICJCKUFX-AIEUUNKWSA-N
XLogP9.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.01
LogP ≤ 59.65
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(2R,5S)-5-[(1S)-1-(methoxymethoxy)prop-2-enyl]-2,5-dihydrofuran-2-yl]pent-1-ynyl-tri(propan-2-yl)silane
CID 11574697
[(1S,2R,5R)-2-but-3-enoxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101193984
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985
triethyl-[(3R,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane
CID 134939457
5-[(2R,5S)-5-[(1R)-1-(methoxymethoxy)prop-2-enyl]-2,5-dihydrofuran-2-yl]pent-1-ynyl-tri(propan-2-yl)silane
CID 134939458
tert-butyl-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 151629584
tert-butyl-[[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 173852768
tri(propan-2-yl)-[(E)-7-trimethylsilyl-1-[1-tri(propan-2-yl)silyloxyhexyl]hept-2-en-6-ynoxy]silane
CID 177269518
[(Z,2S)-2-(cyclohexen-1-yloxy)hept-3-enoxy]-triethylsilane
CID 10592100
[(Z,2S)-2-(cyclopenten-1-yloxy)hept-3-enoxy]-triethylsilane
CID 10828795
tert-butyl-[[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 10927070
tert-butyl-dimethyl-[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl]oxysilane
CID 10958433

Frequently Asked Questions

What is the IUPAC name of triethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane?
The IUPAC name of triethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane (CID 11613803) is triethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane?
The canonical SMILES for triethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane is C=CCOC/C=C/[C@H](O[C@@H](C=C)CCCC#C[Si](C(C)C)(C(C)C)C(C)C)[C@H](C=C)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane?
The InChIKey is ROHWMHICJCKUFX-AIEUUNKWSA-N. The full InChI is InChI=1S/C33H60O3Si2/c1-13-25-34-26-22-24-33(32(15-3)36-37(16-4,17-5)18-6)35-31(14-2)23-20-19-21-27-38(28(7)8,29(9)10)30(11)12/h13-15,22,24,28-33H,1-3,16-20,23,25-26H2,4-12H3/b24-22+/t31-,32-,33-/m0/s1.
What are the key properties of triethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane?
triethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane has a molecular weight of 561.01 g/mol, XLogP of 9.65, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(3S,4S,5E)-7-prop-2-enoxy-4-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyhepta-1,5-dien-3-yl]oxysilane is sourced from PubChem (CID 11613803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).