tert-butyl-[(3R)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane

C26H54F2OSiSn — CID 173152997

IUPACtert-butyl-[(3R)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane
SMILESCCCCC(F)(F)[C@@H](C=C[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27F2OSi.3C4H9.Sn/c1-8-10-11-14(15,16)12(9-2)17-18(6,7)13(3,4)5;3*1-3-4-2;/h2,9,12H,8,10-11H2,1,3-7H3;3*1,3-4H2,2H3;/t12-;;;;/m1..../s1
InChIKeyRWIPOWXECPFPKK-HHUWXINPSA-N
MW567.51 g/mol
LogP10.15
Rot. Bonds17

About tert-butyl-[(3R)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(3R)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane (PubChem CID 173152997) has the molecular formula C26H54F2OSiSn and a molecular weight of 567.51 g/mol. Its IUPAC name is tert-butyl-[(3R)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane
PubChem CID173152997
Molecular FormulaC26H54F2OSiSn
Molecular Weight567.51 g/mol
Exact Mass568.29
IUPAC Nametert-butyl-[(3R)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane
SMILESCCCCC(F)(F)[C@@H](C=C[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27F2OSi.3C4H9.Sn/c1-8-10-11-14(15,16)12(9-2)17-18(6,7)13(3,4)5;3*1-3-4-2;/h2,9,12H,8,10-11H2,1,3-7H3;3*1,3-4H2,2H3;/t12-;;;;/m1..../s1
InChIKeyRWIPOWXECPFPKK-HHUWXINPSA-N
XLogP10.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.51
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane (CID 173152997) is tert-butyl-[(3R)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane is CCCCC(F)(F)[C@@H](C=C[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3R)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is RWIPOWXECPFPKK-HHUWXINPSA-N. The full InChI is InChI=1S/C14H27F2OSi.3C4H9.Sn/c1-8-10-11-14(15,16)12(9-2)17-18(6,7)13(3,4)5;3*1-3-4-2;/h2,9,12H,8,10-11H2,1,3-7H3;3*1,3-4H2,2H3;/t12-;;;;/m1..../s1.
What are the key properties of tert-butyl-[(3R)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 567.51 g/mol, XLogP of 10.15, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 173152997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).