3',4,5-trimethyl-2'-(2-trimethylsilylethynyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-ol

C17H26O3Si — CID 90076438

IUPAC3',4,5-trimethyl-2'-(2-trimethylsilylethynyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-ol
SMILESCC1=CC2(OC(C)C(C)O2)C2CC2C1(O)C#C[Si](C)(C)C
InChIInChI=1S/C17H26O3Si/c1-11-10-17(19-12(2)13(3)20-17)15-9-14(15)16(11,18)7-8-21(4,5)6/h10,12-15,18H,9H2,1-6H3
InChIKeyRXSNYGZOODJNOS-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.71
Rot. Bonds

About 3',4,5-trimethyl-2'-(2-trimethylsilylethynyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-ol

3',4,5-trimethyl-2'-(2-trimethylsilylethynyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-ol (PubChem CID 90076438) has the molecular formula C17H26O3Si and a molecular weight of 306.48 g/mol. Its IUPAC name is 3',4,5-trimethyl-2'-(2-trimethylsilylethynyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-ol.

Molecular Properties

Compound Name3',4,5-trimethyl-2'-(2-trimethylsilylethynyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-ol
PubChem CID90076438
Molecular FormulaC17H26O3Si
Molecular Weight306.48 g/mol
Exact Mass306.17
IUPAC Name3',4,5-trimethyl-2'-(2-trimethylsilylethynyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-ol
SMILESCC1=CC2(OC(C)C(C)O2)C2CC2C1(O)C#C[Si](C)(C)C
InChIInChI=1S/C17H26O3Si/c1-11-10-17(19-12(2)13(3)20-17)15-9-14(15)16(11,18)7-8-21(4,5)6/h10,12-15,18H,9H2,1-6H3
InChIKeyRXSNYGZOODJNOS-UHFFFAOYSA-N
XLogP2.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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',4,5-trimethyl-2'-(2-trimethylsilylethynyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-ol?
The IUPAC name of 3',4,5-trimethyl-2'-(2-trimethylsilylethynyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-ol (CID 90076438) is 3',4,5-trimethyl-2'-(2-trimethylsilylethynyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-ol.
What is the SMILES notation for 3',4,5-trimethyl-2'-(2-trimethylsilylethynyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-ol?
The canonical SMILES for 3',4,5-trimethyl-2'-(2-trimethylsilylethynyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-ol is CC1=CC2(OC(C)C(C)O2)C2CC2C1(O)C#C[Si](C)(C)C.
What is the InChIKey of 3',4,5-trimethyl-2'-(2-trimethylsilylethynyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-ol?
The InChIKey is RXSNYGZOODJNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3Si/c1-11-10-17(19-12(2)13(3)20-17)15-9-14(15)16(11,18)7-8-21(4,5)6/h10,12-15,18H,9H2,1-6H3.
What are the key properties of 3',4,5-trimethyl-2'-(2-trimethylsilylethynyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-ol?
3',4,5-trimethyl-2'-(2-trimethylsilylethynyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-ol has a molecular weight of 306.48 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3',4,5-trimethyl-2'-(2-trimethylsilylethynyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-ol is sourced from PubChem (CID 90076438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).