triethyl-[(2S,3R,6R)-3-ethyl-6-[(2S,4S,5S)-2-ethyl-5-[(E,1R)-1-ethyl-2-triethylsilyloxybut-2-enyl]-4-methyloxolan-2-yl]-2-methyloxan-3-yl]oxysilane

C33H66O4Si2 — CID 154731527

IUPACtriethyl-[(2S,3R,6R)-3-ethyl-6-[(2S,4S,5S)-2-ethyl-5-[(E,1R)-1-ethyl-2-triethylsilyloxybut-2-enyl]-4-methyloxolan-2-yl]-2-methyloxan-3-yl]oxysilane
SMILESC/C=C(/O[Si](CC)(CC)CC)[C@H](CC)[C@H]1O[C@](CC)([C@H]2CC[C@@](CC)(O[Si](CC)(CC)CC)[C@H](C)O2)C[C@@H]1C
InChIInChI=1S/C33H66O4Si2/c1-13-28(29(14-2)36-38(17-5,18-6)19-7)31-26(11)25-33(16-4,35-31)30-23-24-32(15-3,27(12)34-30)37-39(20-8,21-9)22-10/h14,26-28,30-31H,13,15-25H2,1-12H3/b29-14+/t26-,27-,28-,30+,31-,32+,33-/m0/s1
InChIKeyBGWCXKXFZCKZBD-HLWLFBBLSA-N
MW583.06 g/mol
LogP10.25
Rot. Bonds16

About triethyl-[(2S,3R,6R)-3-ethyl-6-[(2S,4S,5S)-2-ethyl-5-[(E,1R)-1-ethyl-2-triethylsilyloxybut-2-enyl]-4-methyloxolan-2-yl]-2-methyloxan-3-yl]oxysilane

triethyl-[(2S,3R,6R)-3-ethyl-6-[(2S,4S,5S)-2-ethyl-5-[(E,1R)-1-ethyl-2-triethylsilyloxybut-2-enyl]-4-methyloxolan-2-yl]-2-methyloxan-3-yl]oxysilane (PubChem CID 154731527) has the molecular formula C33H66O4Si2 and a molecular weight of 583.06 g/mol. Its IUPAC name is triethyl-[(2S,3R,6R)-3-ethyl-6-[(2S,4S,5S)-2-ethyl-5-[(E,1R)-1-ethyl-2-triethylsilyloxybut-2-enyl]-4-methyloxolan-2-yl]-2-methyloxan-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2S,3R,6R)-3-ethyl-6-[(2S,4S,5S)-2-ethyl-5-[(E,1R)-1-ethyl-2-triethylsilyloxybut-2-enyl]-4-methyloxolan-2-yl]-2-methyloxan-3-yl]oxysilane
PubChem CID154731527
Molecular FormulaC33H66O4Si2
Molecular Weight583.06 g/mol
Exact Mass582.45
IUPAC Nametriethyl-[(2S,3R,6R)-3-ethyl-6-[(2S,4S,5S)-2-ethyl-5-[(E,1R)-1-ethyl-2-triethylsilyloxybut-2-enyl]-4-methyloxolan-2-yl]-2-methyloxan-3-yl]oxysilane
SMILESC/C=C(/O[Si](CC)(CC)CC)[C@H](CC)[C@H]1O[C@](CC)([C@H]2CC[C@@](CC)(O[Si](CC)(CC)CC)[C@H](C)O2)C[C@@H]1C
InChIInChI=1S/C33H66O4Si2/c1-13-28(29(14-2)36-38(17-5,18-6)19-7)31-26(11)25-33(16-4,35-31)30-23-24-32(15-3,27(12)34-30)37-39(20-8,21-9)22-10/h14,26-28,30-31H,13,15-25H2,1-12H3/b29-14+/t26-,27-,28-,30+,31-,32+,33-/m0/s1
InChIKeyBGWCXKXFZCKZBD-HLWLFBBLSA-N
XLogP10.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.06
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze triethyl-[(2S,3R,6R)-3-ethyl-6-[(2S,4S,5S)-2-ethyl-5-[(E,1R)-1-ethyl-2-triethylsilyloxybut-2-enyl]-4-methyloxolan-2-yl]-2-methyloxan-3-yl]oxysilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(2S,3R,6R)-3-ethyl-6-[(2S,4S,5S)-2-ethyl-5-[(E,1R)-1-ethyl-2-triethylsilyloxybut-2-enyl]-4-methyloxolan-2-yl]-2-methyloxan-3-yl]oxysilane?
The IUPAC name of triethyl-[(2S,3R,6R)-3-ethyl-6-[(2S,4S,5S)-2-ethyl-5-[(E,1R)-1-ethyl-2-triethylsilyloxybut-2-enyl]-4-methyloxolan-2-yl]-2-methyloxan-3-yl]oxysilane (CID 154731527) is triethyl-[(2S,3R,6R)-3-ethyl-6-[(2S,4S,5S)-2-ethyl-5-[(E,1R)-1-ethyl-2-triethylsilyloxybut-2-enyl]-4-methyloxolan-2-yl]-2-methyloxan-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(2S,3R,6R)-3-ethyl-6-[(2S,4S,5S)-2-ethyl-5-[(E,1R)-1-ethyl-2-triethylsilyloxybut-2-enyl]-4-methyloxolan-2-yl]-2-methyloxan-3-yl]oxysilane?
The canonical SMILES for triethyl-[(2S,3R,6R)-3-ethyl-6-[(2S,4S,5S)-2-ethyl-5-[(E,1R)-1-ethyl-2-triethylsilyloxybut-2-enyl]-4-methyloxolan-2-yl]-2-methyloxan-3-yl]oxysilane is C/C=C(/O[Si](CC)(CC)CC)[C@H](CC)[C@H]1O[C@](CC)([C@H]2CC[C@@](CC)(O[Si](CC)(CC)CC)[C@H](C)O2)C[C@@H]1C.
What is the InChIKey of triethyl-[(2S,3R,6R)-3-ethyl-6-[(2S,4S,5S)-2-ethyl-5-[(E,1R)-1-ethyl-2-triethylsilyloxybut-2-enyl]-4-methyloxolan-2-yl]-2-methyloxan-3-yl]oxysilane?
The InChIKey is BGWCXKXFZCKZBD-HLWLFBBLSA-N. The full InChI is InChI=1S/C33H66O4Si2/c1-13-28(29(14-2)36-38(17-5,18-6)19-7)31-26(11)25-33(16-4,35-31)30-23-24-32(15-3,27(12)34-30)37-39(20-8,21-9)22-10/h14,26-28,30-31H,13,15-25H2,1-12H3/b29-14+/t26-,27-,28-,30+,31-,32+,33-/m0/s1.
What are the key properties of triethyl-[(2S,3R,6R)-3-ethyl-6-[(2S,4S,5S)-2-ethyl-5-[(E,1R)-1-ethyl-2-triethylsilyloxybut-2-enyl]-4-methyloxolan-2-yl]-2-methyloxan-3-yl]oxysilane?
triethyl-[(2S,3R,6R)-3-ethyl-6-[(2S,4S,5S)-2-ethyl-5-[(E,1R)-1-ethyl-2-triethylsilyloxybut-2-enyl]-4-methyloxolan-2-yl]-2-methyloxan-3-yl]oxysilane has a molecular weight of 583.06 g/mol, XLogP of 10.25, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2S,3R,6R)-3-ethyl-6-[(2S,4S,5S)-2-ethyl-5-[(E,1R)-1-ethyl-2-triethylsilyloxybut-2-enyl]-4-methyloxolan-2-yl]-2-methyloxan-3-yl]oxysilane is sourced from PubChem (CID 154731527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).