tributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane

C23H44O2Sn — CID 139249348

IUPACtributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane
SMILESC=C[C@H]1OC(C)(C)O[C@H]1CC/C=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C11H17O2.3C4H9.Sn/c1-5-7-8-10-9(6-2)12-11(3,4)13-10;3*1-3-4-2;/h1,5-6,9-10H,2,7-8H2,3-4H3;3*1,3-4H2,2H3;/t9-,10+;;;;/m1..../s1
InChIKeyNMDLSPSYIONGAJ-OOFBUDRMSA-N
MW471.31 g/mol
LogP7.42
Rot. Bonds14

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

tributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane (PubChem CID 139249348) has the molecular formula C23H44O2Sn and a molecular weight of 471.31 g/mol. Its IUPAC name is tributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane
PubChem CID139249348
Molecular FormulaC23H44O2Sn
Molecular Weight471.31 g/mol
Exact Mass472.24
IUPAC Nametributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane
SMILESC=C[C@H]1OC(C)(C)O[C@H]1CC/C=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C11H17O2.3C4H9.Sn/c1-5-7-8-10-9(6-2)12-11(3,4)13-10;3*1-3-4-2;/h1,5-6,9-10H,2,7-8H2,3-4H3;3*1,3-4H2,2H3;/t9-,10+;;;;/m1..../s1
InChIKeyNMDLSPSYIONGAJ-OOFBUDRMSA-N
XLogP7.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.31
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane 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

(3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 11542886
tributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane
CID 16744723
(2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane
CID 134846281
(4S,5R)-4-but-3-ynyl-5-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 139249347
(4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane
CID 11095259
(4S,5S)-4-ethenyl-2,2-dimethyl-5-tetradecyl-1,3-dioxolane
CID 11484174
(4S,5S)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane
CID 11830070
(4S,5S)-4,5-bis[(1S)-1-methoxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolane
CID 12051046
4-butyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane
CID 12833940
4-Ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane
CID 13497315
4-Ethenyl-5-propyl-1,3-dioxolan-2-one
CID 15221501
4-Ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane
CID 19005248

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane (CID 139249348) is tributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane is C=C[C@H]1OC(C)(C)O[C@H]1CC/C=C/[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane?
The InChIKey is NMDLSPSYIONGAJ-OOFBUDRMSA-N. The full InChI is InChI=1S/C11H17O2.3C4H9.Sn/c1-5-7-8-10-9(6-2)12-11(3,4)13-10;3*1-3-4-2;/h1,5-6,9-10H,2,7-8H2,3-4H3;3*1,3-4H2,2H3;/t9-,10+;;;;/m1..../s1.
What are the key properties of tributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane?
tributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane has a molecular weight of 471.31 g/mol, XLogP of 7.42, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane is sourced from PubChem (CID 139249348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).