2-[(4R,5S)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane

C12H19ClO2Si — CID 11565134

IUPAC2-[(4R,5S)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
SMILESCC1(C)O[C@@H](/C=C/Cl)[C@@H](C#C[Si](C)(C)C)O1
InChIInChI=1S/C12H19ClO2Si/c1-12(2)14-10(6-8-13)11(15-12)7-9-16(3,4)5/h6,8,10-11H,1-5H3/b8-6+/t10-,11+/m0/s1
InChIKeyWDYFESCAKNVSJV-YBFGJNSCSA-N
MW258.82 g/mol
LogP3.14
Rot. Bonds1

About 2-[(4R,5S)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane

2-[(4R,5S)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane (PubChem CID 11565134) has the molecular formula C12H19ClO2Si and a molecular weight of 258.82 g/mol. Its IUPAC name is 2-[(4R,5S)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4R,5S)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
PubChem CID11565134
Molecular FormulaC12H19ClO2Si
Molecular Weight258.82 g/mol
Exact Mass258.08
IUPAC Name2-[(4R,5S)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
SMILESCC1(C)O[C@@H](/C=C/Cl)[C@@H](C#C[Si](C)(C)C)O1
InChIInChI=1S/C12H19ClO2Si/c1-12(2)14-10(6-8-13)11(15-12)7-9-16(3,4)5/h6,8,10-11H,1-5H3/b8-6+/t10-,11+/m0/s1
InChIKeyWDYFESCAKNVSJV-YBFGJNSCSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4R,5S)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane with MolForge

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Related Compounds

3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane
CID 10586049
2-[(4R,5R)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
CID 11601328

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5S)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[(4R,5S)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane (CID 11565134) is 2-[(4R,5S)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[(4R,5S)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[(4R,5S)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane is CC1(C)O[C@@H](/C=C/Cl)[C@@H](C#C[Si](C)(C)C)O1.
What is the InChIKey of 2-[(4R,5S)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane?
The InChIKey is WDYFESCAKNVSJV-YBFGJNSCSA-N. The full InChI is InChI=1S/C12H19ClO2Si/c1-12(2)14-10(6-8-13)11(15-12)7-9-16(3,4)5/h6,8,10-11H,1-5H3/b8-6+/t10-,11+/m0/s1.
What are the key properties of 2-[(4R,5S)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane?
2-[(4R,5S)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane has a molecular weight of 258.82 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5S)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 11565134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).