[(2S,3S,4S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptyl] acetate

C24H52O4Si2 — CID 16744719

IUPAC[(2S,3S,4S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptyl] acetate
SMILESCC(=O)OC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H52O4Si2/c1-18(16-27-29(11,12)23(5,6)7)15-19(2)22(20(3)17-26-21(4)25)28-30(13,14)24(8,9)10/h18-20,22H,15-17H2,1-14H3/t18-,19+,20+,22+/m1/s1
InChIKeyBNDQZIVCHMBIFY-AQCRLBJHSA-N
MW460.85 g/mol
LogP7.26
Rot. Bonds11

About [(2S,3S,4S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptyl] acetate

[(2S,3S,4S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptyl] acetate (PubChem CID 16744719) has the molecular formula C24H52O4Si2 and a molecular weight of 460.85 g/mol. Its IUPAC name is [(2S,3S,4S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptyl] acetate.

Molecular Properties

Compound Name[(2S,3S,4S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptyl] acetate
PubChem CID16744719
Molecular FormulaC24H52O4Si2
Molecular Weight460.85 g/mol
Exact Mass460.34
IUPAC Name[(2S,3S,4S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptyl] acetate
SMILESCC(=O)OC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H52O4Si2/c1-18(16-27-29(11,12)23(5,6)7)15-19(2)22(20(3)17-26-21(4)25)28-30(13,14)24(8,9)10/h18-20,22H,15-17H2,1-14H3/t18-,19+,20+,22+/m1/s1
InChIKeyBNDQZIVCHMBIFY-AQCRLBJHSA-N
XLogP7.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.85
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S,3S,4S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptyl] acetate with MolForge

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Related Compounds

[(3R,4R,5S,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate
CID 58876335
ethyl (4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoate
CID 134845346
[3-[Tert-butyl(dimethyl)silyl]oxy-1-hexadecoxy-4-methylpentan-2-yl] acetate
CID 14179743
[5,9-Bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethoxy-2,8-dimethylnonyl] 2,2-dimethylpropanoate
CID 14608677
(2R,4S,5R,6S,8R)-1-Pivaloyloxy-2,8-dimethyl-4,6-dimethoxy-5,9-bis-t-butyldimethylsilyloxynonane
CID 21638266
[(5S)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]-5,9-dimethyldecan-3-yl] acetate
CID 57788445
[(5S)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,9-trimethyldecan-3-yl] acetate
CID 57788452
[5,7-Bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane
CID 58822508
[3,7-Bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate
CID 58822510
[3,7-Bis[[tert-butyl(dimethyl)silyl]oxy]-9-hydroxy-2,4,6,8-tetramethyldecyl] propanoate
CID 58822515
Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethyl-7-propoxyheptoxy]-dimethylsilane
CID 58822549
[(3R,4R,5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate
CID 89353450

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptyl] acetate?
The IUPAC name of [(2S,3S,4S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptyl] acetate (CID 16744719) is [(2S,3S,4S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptyl] acetate.
What is the SMILES notation for [(2S,3S,4S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptyl] acetate?
The canonical SMILES for [(2S,3S,4S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptyl] acetate is CC(=O)OC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3S,4S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptyl] acetate?
The InChIKey is BNDQZIVCHMBIFY-AQCRLBJHSA-N. The full InChI is InChI=1S/C24H52O4Si2/c1-18(16-27-29(11,12)23(5,6)7)15-19(2)22(20(3)17-26-21(4)25)28-30(13,14)24(8,9)10/h18-20,22H,15-17H2,1-14H3/t18-,19+,20+,22+/m1/s1.
What are the key properties of [(2S,3S,4S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptyl] acetate?
[(2S,3S,4S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptyl] acetate has a molecular weight of 460.85 g/mol, XLogP of 7.26, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptyl] acetate is sourced from PubChem (CID 16744719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).