8-(2-trimethylsilylethynyl)-1,4-dioxaspiro[4.5]decan-8-ol

C13H22O3Si — CID 10753464

IUPAC8-(2-trimethylsilylethynyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESC[Si](C)(C)C#CC1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C13H22O3Si/c1-17(2,3)11-8-12(14)4-6-13(7-5-12)15-9-10-16-13/h14H,4-7,9-10H2,1-3H3
InChIKeyQZKWWHXSMSYULG-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.92
Rot. Bonds

About 8-(2-trimethylsilylethynyl)-1,4-dioxaspiro[4.5]decan-8-ol

8-(2-trimethylsilylethynyl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 10753464) has the molecular formula C13H22O3Si and a molecular weight of 254.40 g/mol. Its IUPAC name is 8-(2-trimethylsilylethynyl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(2-trimethylsilylethynyl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID10753464
Molecular FormulaC13H22O3Si
Molecular Weight254.40 g/mol
Exact Mass254.13
IUPAC Name8-(2-trimethylsilylethynyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESC[Si](C)(C)C#CC1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C13H22O3Si/c1-17(2,3)11-8-12(14)4-6-13(7-5-12)15-9-10-16-13/h14H,4-7,9-10H2,1-3H3
InChIKeyQZKWWHXSMSYULG-UHFFFAOYSA-N
XLogP1.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-trimethylsilylethynyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-(2-trimethylsilylethynyl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 10753464) is 8-(2-trimethylsilylethynyl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(2-trimethylsilylethynyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-(2-trimethylsilylethynyl)-1,4-dioxaspiro[4.5]decan-8-ol is C[Si](C)(C)C#CC1(O)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2-trimethylsilylethynyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is QZKWWHXSMSYULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3Si/c1-17(2,3)11-8-12(14)4-6-13(7-5-12)15-9-10-16-13/h14H,4-7,9-10H2,1-3H3.
What are the key properties of 8-(2-trimethylsilylethynyl)-1,4-dioxaspiro[4.5]decan-8-ol?
8-(2-trimethylsilylethynyl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 254.40 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-trimethylsilylethynyl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 10753464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).