[(2R,3R,4S,5S,6R)-3,5-bis[[diethyl(propan-2-yl)silyl]oxy]-4-ethyl-2,6-dimethylnon-8-ynyl] 2,2-dimethylpropanoate

C32H64O4Si2 — CID 10940780

IUPAC[(2R,3R,4S,5S,6R)-3,5-bis[[diethyl(propan-2-yl)silyl]oxy]-4-ethyl-2,6-dimethylnon-8-ynyl] 2,2-dimethylpropanoate
SMILESC#CC[C@@H](C)[C@H](O[Si](CC)(CC)C(C)C)[C@H](CC)[C@H](O[Si](CC)(CC)C(C)C)[C@H](C)COC(=O)C(C)(C)C
InChIInChI=1S/C32H64O4Si2/c1-16-22-26(11)29(35-37(18-3,19-4)24(7)8)28(17-2)30(36-38(20-5,21-6)25(9)10)27(12)23-34-31(33)32(13,14)15/h1,24-30H,17-23H2,2-15H3/t26-,27-,28+,29+,30-/m1/s1
InChIKeyQIRIRFGOTIIYIK-IXYVTWBDSA-N
MW569.03 g/mol
LogP9.46
Rot. Bonds18

About [(2R,3R,4S,5S,6R)-3,5-bis[[diethyl(propan-2-yl)silyl]oxy]-4-ethyl-2,6-dimethylnon-8-ynyl] 2,2-dimethylpropanoate

[(2R,3R,4S,5S,6R)-3,5-bis[[diethyl(propan-2-yl)silyl]oxy]-4-ethyl-2,6-dimethylnon-8-ynyl] 2,2-dimethylpropanoate (PubChem CID 10940780) has the molecular formula C32H64O4Si2 and a molecular weight of 569.03 g/mol. Its IUPAC name is [(2R,3R,4S,5S,6R)-3,5-bis[[diethyl(propan-2-yl)silyl]oxy]-4-ethyl-2,6-dimethylnon-8-ynyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3R,4S,5S,6R)-3,5-bis[[diethyl(propan-2-yl)silyl]oxy]-4-ethyl-2,6-dimethylnon-8-ynyl] 2,2-dimethylpropanoate
PubChem CID10940780
Molecular FormulaC32H64O4Si2
Molecular Weight569.03 g/mol
Exact Mass568.43
IUPAC Name[(2R,3R,4S,5S,6R)-3,5-bis[[diethyl(propan-2-yl)silyl]oxy]-4-ethyl-2,6-dimethylnon-8-ynyl] 2,2-dimethylpropanoate
SMILESC#CC[C@@H](C)[C@H](O[Si](CC)(CC)C(C)C)[C@H](CC)[C@H](O[Si](CC)(CC)C(C)C)[C@H](C)COC(=O)C(C)(C)C
InChIInChI=1S/C32H64O4Si2/c1-16-22-26(11)29(35-37(18-3,19-4)24(7)8)28(17-2)30(36-38(20-5,21-6)25(9)10)27(12)23-34-31(33)32(13,14)15/h1,24-30H,17-23H2,2-15H3/t26-,27-,28+,29+,30-/m1/s1
InChIKeyQIRIRFGOTIIYIK-IXYVTWBDSA-N
XLogP9.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.03
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S,5S,6R)-3,5-bis[[diethyl(propan-2-yl)silyl]oxy]-4-ethyl-2,6-dimethylnon-8-ynyl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

[3,7-Bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate
CID 58822510
[(3R,4R,5S,6R,9S,10S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9-trimethyltetradecan-6-yl] propanoate
CID 157787437
[(3R,4R,5S,6S,9S,10S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9-trimethyltetradecan-6-yl] propanoate
CID 157787438
[(3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-yl] 2-methylpropanoate
CID 158504321
[(4R,5S,8S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4,8-dimethylnon-2-ynyl] acetate
CID 10552336
[(3R,4S,5R,7R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-3,7-dimethoxy-4,8-dimethylnonyl] 2,2-dimethylpropanoate
CID 10626906
[(4S,5R,7R,8S,9R)-5-hydroxy-4,8,10-trimethyl-7,9-bis(triethylsilyloxy)undec-2-ynyl] 2,2-dimethylpropanoate
CID 11226891
[(2S,3S,4S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptyl] acetate
CID 16744719
[(4S)-4-[(2R,4R,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]pent-2-ynyl] 2,2-dimethylpropanoate
CID 101085214

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S,6R)-3,5-bis[[diethyl(propan-2-yl)silyl]oxy]-4-ethyl-2,6-dimethylnon-8-ynyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3R,4S,5S,6R)-3,5-bis[[diethyl(propan-2-yl)silyl]oxy]-4-ethyl-2,6-dimethylnon-8-ynyl] 2,2-dimethylpropanoate (CID 10940780) is [(2R,3R,4S,5S,6R)-3,5-bis[[diethyl(propan-2-yl)silyl]oxy]-4-ethyl-2,6-dimethylnon-8-ynyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3R,4S,5S,6R)-3,5-bis[[diethyl(propan-2-yl)silyl]oxy]-4-ethyl-2,6-dimethylnon-8-ynyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3R,4S,5S,6R)-3,5-bis[[diethyl(propan-2-yl)silyl]oxy]-4-ethyl-2,6-dimethylnon-8-ynyl] 2,2-dimethylpropanoate is C#CC[C@@H](C)[C@H](O[Si](CC)(CC)C(C)C)[C@H](CC)[C@H](O[Si](CC)(CC)C(C)C)[C@H](C)COC(=O)C(C)(C)C.
What is the InChIKey of [(2R,3R,4S,5S,6R)-3,5-bis[[diethyl(propan-2-yl)silyl]oxy]-4-ethyl-2,6-dimethylnon-8-ynyl] 2,2-dimethylpropanoate?
The InChIKey is QIRIRFGOTIIYIK-IXYVTWBDSA-N. The full InChI is InChI=1S/C32H64O4Si2/c1-16-22-26(11)29(35-37(18-3,19-4)24(7)8)28(17-2)30(36-38(20-5,21-6)25(9)10)27(12)23-34-31(33)32(13,14)15/h1,24-30H,17-23H2,2-15H3/t26-,27-,28+,29+,30-/m1/s1.
What are the key properties of [(2R,3R,4S,5S,6R)-3,5-bis[[diethyl(propan-2-yl)silyl]oxy]-4-ethyl-2,6-dimethylnon-8-ynyl] 2,2-dimethylpropanoate?
[(2R,3R,4S,5S,6R)-3,5-bis[[diethyl(propan-2-yl)silyl]oxy]-4-ethyl-2,6-dimethylnon-8-ynyl] 2,2-dimethylpropanoate has a molecular weight of 569.03 g/mol, XLogP of 9.46, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S,6R)-3,5-bis[[diethyl(propan-2-yl)silyl]oxy]-4-ethyl-2,6-dimethylnon-8-ynyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10940780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).