3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane

C15H26O2Si — CID 10635936

IUPAC3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane
SMILESC=CCC1(CC#C[Si](C)(C)C)COC(C)(C)OC1
InChIInChI=1S/C15H26O2Si/c1-7-9-15(10-8-11-18(4,5)6)12-16-14(2,3)17-13-15/h7H,1,9-10,12-13H2,2-6H3
InChIKeyRUUVAZURYJQUBU-UHFFFAOYSA-N
MW266.46 g/mol
LogP3.60
Rot. Bonds3

About 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane

3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane (PubChem CID 10635936) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane
PubChem CID10635936
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane
SMILESC=CCC1(CC#C[Si](C)(C)C)COC(C)(C)OC1
InChIInChI=1S/C15H26O2Si/c1-7-9-15(10-8-11-18(4,5)6)12-16-14(2,3)17-13-15/h7H,1,9-10,12-13H2,2-6H3
InChIKeyRUUVAZURYJQUBU-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 53.60
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 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane?
The IUPAC name of 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane (CID 10635936) is 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane?
The canonical SMILES for 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane is C=CCC1(CC#C[Si](C)(C)C)COC(C)(C)OC1.
What is the InChIKey of 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane?
The InChIKey is RUUVAZURYJQUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-7-9-15(10-8-11-18(4,5)6)12-16-14(2,3)17-13-15/h7H,1,9-10,12-13H2,2-6H3.
What are the key properties of 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane?
3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane has a molecular weight of 266.46 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 10635936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).