[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-difluorooxolan-3-yl] tridecanoate

C24H46F2O4Si — CID 150347772

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-difluorooxolan-3-yl] tridecanoate
SMILESCCCCCCCCCCCCC(=O)OC1C(CO[Si](C)(C)C(C)(C)C)OCC1(F)F
InChIInChI=1S/C24H46F2O4Si/c1-7-8-9-10-11-12-13-14-15-16-17-21(27)30-22-20(28-19-24(22,25)26)18-29-31(5,6)23(2,3)4/h20,22H,7-19H2,1-6H3
InChIKeyGTBUDZQRHUDAKS-UHFFFAOYSA-N
MW464.71 g/mol
LogP7.27
Rot. Bonds15

About [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-difluorooxolan-3-yl] tridecanoate

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-difluorooxolan-3-yl] tridecanoate (PubChem CID 150347772) has the molecular formula C24H46F2O4Si and a molecular weight of 464.71 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-difluorooxolan-3-yl] tridecanoate.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-difluorooxolan-3-yl] tridecanoate
PubChem CID150347772
Molecular FormulaC24H46F2O4Si
Molecular Weight464.71 g/mol
Exact Mass464.31
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-difluorooxolan-3-yl] tridecanoate
SMILESCCCCCCCCCCCCC(=O)OC1C(CO[Si](C)(C)C(C)(C)C)OCC1(F)F
InChIInChI=1S/C24H46F2O4Si/c1-7-8-9-10-11-12-13-14-15-16-17-21(27)30-22-20(28-19-24(22,25)26)18-29-31(5,6)23(2,3)4/h20,22H,7-19H2,1-6H3
InChIKeyGTBUDZQRHUDAKS-UHFFFAOYSA-N
XLogP7.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.71
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-[tert-butyl-(1-ethoxy-6,6,7,7,7-pentafluoro-1-oxoheptan-2-yl)-methylsilyl]oxynonanoate
CID 140466624
ethyl (7S,8R)-7,8,9-tris[[tert-butyl(dimethyl)silyl]oxy]nonanoate
CID 138976515
Glycerol, 1-hexadecanoate, DTBS
CID 523755
[1-[Tert-butyl(dimethyl)silyl]oxy-3-tetradecoxypropan-2-yl] hexadecanoate
CID 10371948
9-[Tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid
CID 70006184
Methyl 9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoate
CID 70010865
methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoate
CID 70010866
[1-Butanoyloxy-3-[tert-butyl(dimethyl)silyl]oxypropan-2-yl] hexadecanoate
CID 152163104
[3-[Tert-butyl(dimethyl)silyl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
CID 173802611
[1-[Tert-butyl(dimethyl)silyl]oxy-3-hexadecoxypropan-2-yl] tetradecanoate
CID 9986624
[1-[Tert-butyl(dimethyl)silyl]oxy-3-dodecoxypropan-2-yl] hexadecanoate
CID 10258221
[1-[Tert-butyl(dimethyl)silyl]oxy-3-hexadecoxypropan-2-yl] dodecanoate
CID 10258222

Frequently Asked Questions

What is the IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-difluorooxolan-3-yl] tridecanoate?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-difluorooxolan-3-yl] tridecanoate (CID 150347772) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-difluorooxolan-3-yl] tridecanoate.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-difluorooxolan-3-yl] tridecanoate?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-difluorooxolan-3-yl] tridecanoate is CCCCCCCCCCCCC(=O)OC1C(CO[Si](C)(C)C(C)(C)C)OCC1(F)F.
What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-difluorooxolan-3-yl] tridecanoate?
The InChIKey is GTBUDZQRHUDAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46F2O4Si/c1-7-8-9-10-11-12-13-14-15-16-17-21(27)30-22-20(28-19-24(22,25)26)18-29-31(5,6)23(2,3)4/h20,22H,7-19H2,1-6H3.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-difluorooxolan-3-yl] tridecanoate?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-difluorooxolan-3-yl] tridecanoate has a molecular weight of 464.71 g/mol, XLogP of 7.27, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-difluorooxolan-3-yl] tridecanoate is sourced from PubChem (CID 150347772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).