2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane

C14H24O2Si — CID 10562800

IUPAC2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
SMILESC=CCC[C@@H]1OC(C)(C)O[C@H]1C#C[Si](C)(C)C
InChIInChI=1S/C14H24O2Si/c1-7-8-9-12-13(10-11-17(4,5)6)16-14(2,3)15-12/h7,12-13H,1,8-9H2,2-6H3/t12-,13-/m0/s1
InChIKeySMJNQUXCRZSCID-STQMWFEESA-N
MW252.43 g/mol
LogP3.35
Rot. Bonds3

About 2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane

2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane (PubChem CID 10562800) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
PubChem CID10562800
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
SMILESC=CCC[C@@H]1OC(C)(C)O[C@H]1C#C[Si](C)(C)C
InChIInChI=1S/C14H24O2Si/c1-7-8-9-12-13(10-11-17(4,5)6)16-14(2,3)15-12/h7,12-13H,1,8-9H2,2-6H3/t12-,13-/m0/s1
InChIKeySMJNQUXCRZSCID-STQMWFEESA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane (CID 10562800) is 2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane is C=CCC[C@@H]1OC(C)(C)O[C@H]1C#C[Si](C)(C)C.
What is the InChIKey of 2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane?
The InChIKey is SMJNQUXCRZSCID-STQMWFEESA-N. The full InChI is InChI=1S/C14H24O2Si/c1-7-8-9-12-13(10-11-17(4,5)6)16-14(2,3)15-12/h7,12-13H,1,8-9H2,2-6H3/t12-,13-/m0/s1.
What are the key properties of 2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane?
2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane has a molecular weight of 252.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 10562800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).