5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-trimethylsilane

C15H26O2Si — CID 10038578

IUPAC5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-trimethylsilane
SMILESC=CCCC1(CCCC#C[Si](C)(C)C)OCCO1
InChIInChI=1S/C15H26O2Si/c1-5-6-10-15(16-12-13-17-15)11-8-7-9-14-18(2,3)4/h5H,1,6-8,10-13H2,2-4H3
InChIKeyWKABLKGGLLOZNM-UHFFFAOYSA-N
MW266.46 g/mol
LogP3.75
Rot. Bonds6

About 5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-trimethylsilane

5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-trimethylsilane (PubChem CID 10038578) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is 5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-trimethylsilane
PubChem CID10038578
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-trimethylsilane
SMILESC=CCCC1(CCCC#C[Si](C)(C)C)OCCO1
InChIInChI=1S/C15H26O2Si/c1-5-6-10-15(16-12-13-17-15)11-8-7-9-14-18(2,3)4/h5H,1,6-8,10-13H2,2-4H3
InChIKeyWKABLKGGLLOZNM-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-trimethylsilane?
The IUPAC name of 5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-trimethylsilane (CID 10038578) is 5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-trimethylsilane.
What is the SMILES notation for 5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-trimethylsilane?
The canonical SMILES for 5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-trimethylsilane is C=CCCC1(CCCC#C[Si](C)(C)C)OCCO1.
What is the InChIKey of 5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-trimethylsilane?
The InChIKey is WKABLKGGLLOZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-5-6-10-15(16-12-13-17-15)11-8-7-9-14-18(2,3)4/h5H,1,6-8,10-13H2,2-4H3.
What are the key properties of 5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-trimethylsilane?
5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-trimethylsilane has a molecular weight of 266.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-trimethylsilane is sourced from PubChem (CID 10038578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).