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

C26H54F2OSiSn — CID 87758729

IUPACtert-butyl-[(E,3S)-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-;;;;/m0..../s1
InChIKeyRWIPOWXECPFPKK-KCOFNFEMSA-N
MW567.51 g/mol
LogP10.15
Rot. Bonds17

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

tert-butyl-[(E,3S)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane (PubChem CID 87758729) has the molecular formula C26H54F2OSiSn and a molecular weight of 567.51 g/mol. Its IUPAC name is tert-butyl-[(E,3S)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3S)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane
PubChem CID87758729
Molecular FormulaC26H54F2OSiSn
Molecular Weight567.51 g/mol
Exact Mass568.29
IUPAC Nametert-butyl-[(E,3S)-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-;;;;/m0..../s1
InChIKeyRWIPOWXECPFPKK-KCOFNFEMSA-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'}

Analyze tert-butyl-[(E,3S)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[(3R)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 173153144
(1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol
CID 177475405
[(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane
CID 10700411
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannylhept-6-enoate
CID 57407910
(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 11468178
tert-butyl-dimethyl-[(E,1S)-1-tributylstannylpent-2-enoxy]silane
CID 10601098
trimethyl-[(Z)-2-tributylstannylethenyl]silane
CID 12516692
tributyl-[(E)-3-ethoxybut-1-enyl]stannane
CID 10340261
tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane
CID 14592139
tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane
CID 14532960
[(E)-3,3-bis(tributylstannyl)prop-1-enoxy]-tert-butyl-dimethylsilane
CID 11018105
trimethyl-[(E)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 19846630

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3S)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3S)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane (CID 87758729) is tert-butyl-[(E,3S)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3S)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3S)-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-[(E,3S)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is RWIPOWXECPFPKK-KCOFNFEMSA-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-;;;;/m0..../s1.
What are the key properties of tert-butyl-[(E,3S)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,3S)-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-[(E,3S)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 87758729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).