6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one

C22H40O4Sn — CID 134930713

IUPAC6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCCCC[Sn](/C=C/[C@H](O)CC1=CC(=O)OC(C)(C)O1)(CCCC)CCCC
InChIInChI=1S/C10H13O4.3C4H9.Sn/c1-4-7(11)5-8-6-9(12)14-10(2,3)13-8;3*1-3-4-2;/h1,4,6-7,11H,5H2,2-3H3;3*1,3-4H2,2H3;/t7-;;;;/m0..../s1
InChIKeyVBCKXDNCEQGUJM-HEDVWWMMSA-N
MW487.27 g/mol
LogP5.88
Rot. Bonds13

About 6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 134930713) has the molecular formula C22H40O4Sn and a molecular weight of 487.27 g/mol. Its IUPAC name is 6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID134930713
Molecular FormulaC22H40O4Sn
Molecular Weight487.27 g/mol
Exact Mass488.19
IUPAC Name6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCCCC[Sn](/C=C/[C@H](O)CC1=CC(=O)OC(C)(C)O1)(CCCC)CCCC
InChIInChI=1S/C10H13O4.3C4H9.Sn/c1-4-7(11)5-8-6-9(12)14-10(2,3)13-8;3*1-3-4-2;/h1,4,6-7,11H,5H2,2-3H3;3*1,3-4H2,2H3;/t7-;;;;/m0..../s1
InChIKeyVBCKXDNCEQGUJM-HEDVWWMMSA-N
XLogP5.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.27
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-[(2R)-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 130890338
6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 10352698
(E,5S,7R)-7-[(E,5R)-5-hydroxyhex-2-enoyl]oxy-5-(methoxymethoxy)oct-2-enoic acid
CID 11067483
6-(2-Hydroxy-3-buten-1-yl)-2,2-dimethyl-4H-1,3-dioxin-4-one
CID 11106319
6-[(2R)-2-hydroxyhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 24864970
6-[(2R)-2-hydroxy-4-methylpent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134930716
6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134931361
6-[(2R)-2-hydroxypent-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134965967
6-[(1E,3Z,6R)-6-hydroxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 135011917
6-(2-Hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 14638421
5-[5-(3-Hydroxybutoxy)hex-2-enoyloxy]hex-2-enoic acid
CID 87869498
3-[2-(2-Carboxyethenyl)-2-(2-hydroxyethyl)-1,3-dioxan-4-yl]prop-2-enoic acid
CID 91511396

Frequently Asked Questions

What is the IUPAC name of 6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 134930713) is 6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one is CCCC[Sn](/C=C/[C@H](O)CC1=CC(=O)OC(C)(C)O1)(CCCC)CCCC.
What is the InChIKey of 6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is VBCKXDNCEQGUJM-HEDVWWMMSA-N. The full InChI is InChI=1S/C10H13O4.3C4H9.Sn/c1-4-7(11)5-8-6-9(12)14-10(2,3)13-8;3*1-3-4-2;/h1,4,6-7,11H,5H2,2-3H3;3*1,3-4H2,2H3;/t7-;;;;/m0..../s1.
What are the key properties of 6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 487.27 g/mol, XLogP of 5.88, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 134930713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).