5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-tert-butyl-dimethylsilane

C18H32O2Si — CID 10425413

IUPAC5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-tert-butyl-dimethylsilane
SMILESC=CCCC1(CCCC#C[Si](C)(C)C(C)(C)C)OCCO1
InChIInChI=1S/C18H32O2Si/c1-7-8-12-18(19-14-15-20-18)13-10-9-11-16-21(5,6)17(2,3)4/h7H,1,8-10,12-15H2,2-6H3
InChIKeyNUKHUTWOHREYBT-UHFFFAOYSA-N
MW308.54 g/mol
LogP4.92
Rot. Bonds6

About 5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-tert-butyl-dimethylsilane

5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-tert-butyl-dimethylsilane (PubChem CID 10425413) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is 5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-tert-butyl-dimethylsilane
PubChem CID10425413
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-tert-butyl-dimethylsilane
SMILESC=CCCC1(CCCC#C[Si](C)(C)C(C)(C)C)OCCO1
InChIInChI=1S/C18H32O2Si/c1-7-8-12-18(19-14-15-20-18)13-10-9-11-16-21(5,6)17(2,3)4/h7H,1,8-10,12-15H2,2-6H3
InChIKeyNUKHUTWOHREYBT-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.92
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-tert-butyl-dimethylsilane?
The IUPAC name of 5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-tert-butyl-dimethylsilane (CID 10425413) is 5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-tert-butyl-dimethylsilane.
What is the SMILES notation for 5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-tert-butyl-dimethylsilane?
The canonical SMILES for 5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-tert-butyl-dimethylsilane is C=CCCC1(CCCC#C[Si](C)(C)C(C)(C)C)OCCO1.
What is the InChIKey of 5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-tert-butyl-dimethylsilane?
The InChIKey is NUKHUTWOHREYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-7-8-12-18(19-14-15-20-18)13-10-9-11-16-21(5,6)17(2,3)4/h7H,1,8-10,12-15H2,2-6H3.
What are the key properties of 5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-tert-butyl-dimethylsilane?
5-(2-but-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-tert-butyl-dimethylsilane has a molecular weight of 308.54 g/mol, XLogP of 4.92, 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-tert-butyl-dimethylsilane is sourced from PubChem (CID 10425413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).