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

C25H48O4SiSn — CID 10875400

IUPAC2,2-dimethyl-6-[(E,2R)-4-tributylstannyl-2-trimethylsilyloxybut-3-enyl]-1,3-dioxin-4-one
SMILESCCCC[Sn](/C=C/[C@@H](CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C13H21O4Si.3C4H9.Sn/c1-7-10(17-18(4,5)6)8-11-9-12(14)16-13(2,3)15-11;3*1-3-4-2;/h1,7,9-10H,8H2,2-6H3;3*1,3-4H2,2H3;/t10-;;;;/m0..../s1
InChIKeyXVIGOPTWNWVJJD-CZEDPBFNSA-N
MW559.45 g/mol
LogP7.73
Rot. Bonds15

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

2,2-dimethyl-6-[(E,2R)-4-tributylstannyl-2-trimethylsilyloxybut-3-enyl]-1,3-dioxin-4-one (PubChem CID 10875400) has the molecular formula C25H48O4SiSn and a molecular weight of 559.45 g/mol. Its IUPAC name is 2,2-dimethyl-6-[(E,2R)-4-tributylstannyl-2-trimethylsilyloxybut-3-enyl]-1,3-dioxin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-6-[(E,2R)-4-tributylstannyl-2-trimethylsilyloxybut-3-enyl]-1,3-dioxin-4-one
PubChem CID10875400
Molecular FormulaC25H48O4SiSn
Molecular Weight559.45 g/mol
Exact Mass560.23
IUPAC Name2,2-dimethyl-6-[(E,2R)-4-tributylstannyl-2-trimethylsilyloxybut-3-enyl]-1,3-dioxin-4-one
SMILESCCCC[Sn](/C=C/[C@@H](CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C13H21O4Si.3C4H9.Sn/c1-7-10(17-18(4,5)6)8-11-9-12(14)16-13(2,3)15-11;3*1-3-4-2;/h1,7,9-10H,8H2,2-6H3;3*1,3-4H2,2H3;/t10-;;;;/m0..../s1
InChIKeyXVIGOPTWNWVJJD-CZEDPBFNSA-N
XLogP7.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.45
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

methyl (E)-4-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enoxycarbonyloxy-3,6-dihydro-2H-pyran-2-yl]-3-methylbut-2-enoate
CID 102146556
6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134930713
6-[(Z,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134931361
6-[(E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 135011565
6-[(1E,3Z,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 135011916
ethyl (E,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-triethylsilyloxybut-2-enoate
CID 135014806
6-Methyl-4-(trimethylsilyloxy)-5,6-dihydro-2H-pyran-2-one
CID 91696480
6-[8-[Tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one
CID 123484490
6-[(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-2-yl]-2,2-dimethyl-1,3-dioxin-4-one
CID 141699906
ethyl (E)-3-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-enoate
CID 10716927
butyl (2E,5S,6E)-7-tributylstannyl-5-trimethylsilyloxyhepta-2,6-dienoate
CID 10929752
6-[4-[Tert-butyl(dimethyl)silyl]-2-prop-2-enoxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11024556

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[(E,2R)-4-tributylstannyl-2-trimethylsilyloxybut-3-enyl]-1,3-dioxin-4-one?
The IUPAC name of 2,2-dimethyl-6-[(E,2R)-4-tributylstannyl-2-trimethylsilyloxybut-3-enyl]-1,3-dioxin-4-one (CID 10875400) is 2,2-dimethyl-6-[(E,2R)-4-tributylstannyl-2-trimethylsilyloxybut-3-enyl]-1,3-dioxin-4-one.
What is the SMILES notation for 2,2-dimethyl-6-[(E,2R)-4-tributylstannyl-2-trimethylsilyloxybut-3-enyl]-1,3-dioxin-4-one?
The canonical SMILES for 2,2-dimethyl-6-[(E,2R)-4-tributylstannyl-2-trimethylsilyloxybut-3-enyl]-1,3-dioxin-4-one is CCCC[Sn](/C=C/[C@@H](CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C)(CCCC)CCCC.
What is the InChIKey of 2,2-dimethyl-6-[(E,2R)-4-tributylstannyl-2-trimethylsilyloxybut-3-enyl]-1,3-dioxin-4-one?
The InChIKey is XVIGOPTWNWVJJD-CZEDPBFNSA-N. The full InChI is InChI=1S/C13H21O4Si.3C4H9.Sn/c1-7-10(17-18(4,5)6)8-11-9-12(14)16-13(2,3)15-11;3*1-3-4-2;/h1,7,9-10H,8H2,2-6H3;3*1,3-4H2,2H3;/t10-;;;;/m0..../s1.
What are the key properties of 2,2-dimethyl-6-[(E,2R)-4-tributylstannyl-2-trimethylsilyloxybut-3-enyl]-1,3-dioxin-4-one?
2,2-dimethyl-6-[(E,2R)-4-tributylstannyl-2-trimethylsilyloxybut-3-enyl]-1,3-dioxin-4-one has a molecular weight of 559.45 g/mol, XLogP of 7.73, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[(E,2R)-4-tributylstannyl-2-trimethylsilyloxybut-3-enyl]-1,3-dioxin-4-one is sourced from PubChem (CID 10875400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).