tributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane

C22H44O2Sn — CID 16744723

IUPACtributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane
SMILESCCCC[Sn](/C=C/[C@]1(C)OC(C)(C)O[C@@H]1CC)(CCCC)CCCC
InChIInChI=1S/C10H17O2.3C4H9.Sn/c1-6-8-10(5,7-2)12-9(3,4)11-8;3*1-3-4-2;/h2,7-8H,6H2,1,3-5H3;3*1,3-4H2,2H3;/t8-,10+;;;;/m1..../s1
InChIKeyYIZGQRRVDYNFNI-VWHNRRHXSA-N
MW459.30 g/mol
LogP7.25
Rot. Bonds12

About tributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane

tributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane (PubChem CID 16744723) has the molecular formula C22H44O2Sn and a molecular weight of 459.30 g/mol. Its IUPAC name is tributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane
PubChem CID16744723
Molecular FormulaC22H44O2Sn
Molecular Weight459.30 g/mol
Exact Mass460.24
IUPAC Nametributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane
SMILESCCCC[Sn](/C=C/[C@]1(C)OC(C)(C)O[C@@H]1CC)(CCCC)CCCC
InChIInChI=1S/C10H17O2.3C4H9.Sn/c1-6-8-10(5,7-2)12-9(3,4)11-8;3*1-3-4-2;/h2,7-8H,6H2,1,3-5H3;3*1,3-4H2,2H3;/t8-,10+;;;;/m1..../s1
InChIKeyYIZGQRRVDYNFNI-VWHNRRHXSA-N
XLogP7.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.30
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane with MolForge

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Related Compounds

(4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane
CID 134960666
(4S,5R)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane
CID 135043605
(4R)-4-ethenyl-2,2,4,5-tetramethyl-1,3-dioxolane
CID 137286752
tributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane
CID 139249348
4-Ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane
CID 19005248
4-Ethenyl-2-methyl-2-(2-methylpropyl)-1,3-dioxolane
CID 19388287
(4S,5R)-2,2-Dimethyl-4-isobutyl-5-vinyl-1,3-dioxolane
CID 57017871
4-Ethenyl-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 67828622
(4R,5S)-4-but-3-en-2-yl-5-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 89411644
(4R)-4-[(2R)-2-methoxybut-3-en-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 117635879
4-(2-Methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 123450365
(4R)-4-(2-methoxybut-3-en-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 134546292

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane?
The IUPAC name of tributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane (CID 16744723) is tributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane.
What is the SMILES notation for tributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane?
The canonical SMILES for tributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane is CCCC[Sn](/C=C/[C@]1(C)OC(C)(C)O[C@@H]1CC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane?
The InChIKey is YIZGQRRVDYNFNI-VWHNRRHXSA-N. The full InChI is InChI=1S/C10H17O2.3C4H9.Sn/c1-6-8-10(5,7-2)12-9(3,4)11-8;3*1-3-4-2;/h2,7-8H,6H2,1,3-5H3;3*1,3-4H2,2H3;/t8-,10+;;;;/m1..../s1.
What are the key properties of tributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane?
tributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane has a molecular weight of 459.30 g/mol, XLogP of 7.25, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane is sourced from PubChem (CID 16744723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).