(4-ethenyl-7,7-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl) triethyl silicate

C17H30O5Si — CID 142745574

IUPAC(4-ethenyl-7,7-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl) triethyl silicate
SMILESC=CC12CCC(C(O[Si](OCC)(OCC)OCC)C1=O)C2(C)C
InChIInChI=1S/C17H30O5Si/c1-7-17-12-11-13(16(17,5)6)14(15(17)18)22-23(19-8-2,20-9-3)21-10-4/h7,13-14H,1,8-12H2,2-6H3
InChIKeyVYODOACOPIDOEY-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.11
Rot. Bonds9

About (4-ethenyl-7,7-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl) triethyl silicate

(4-ethenyl-7,7-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl) triethyl silicate (PubChem CID 142745574) has the molecular formula C17H30O5Si and a molecular weight of 342.51 g/mol. Its IUPAC name is (4-ethenyl-7,7-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl) triethyl silicate.

Molecular Properties

Compound Name(4-ethenyl-7,7-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl) triethyl silicate
PubChem CID142745574
Molecular FormulaC17H30O5Si
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name(4-ethenyl-7,7-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl) triethyl silicate
SMILESC=CC12CCC(C(O[Si](OCC)(OCC)OCC)C1=O)C2(C)C
InChIInChI=1S/C17H30O5Si/c1-7-17-12-11-13(16(17,5)6)14(15(17)18)22-23(19-8-2,20-9-3)21-10-4/h7,13-14H,1,8-12H2,2-6H3
InChIKeyVYODOACOPIDOEY-UHFFFAOYSA-N
XLogP3.11
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-7,7-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl) triethyl silicate?
The IUPAC name of (4-ethenyl-7,7-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl) triethyl silicate (CID 142745574) is (4-ethenyl-7,7-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl) triethyl silicate.
What is the SMILES notation for (4-ethenyl-7,7-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl) triethyl silicate?
The canonical SMILES for (4-ethenyl-7,7-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl) triethyl silicate is C=CC12CCC(C(O[Si](OCC)(OCC)OCC)C1=O)C2(C)C.
What is the InChIKey of (4-ethenyl-7,7-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl) triethyl silicate?
The InChIKey is VYODOACOPIDOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O5Si/c1-7-17-12-11-13(16(17,5)6)14(15(17)18)22-23(19-8-2,20-9-3)21-10-4/h7,13-14H,1,8-12H2,2-6H3.
What are the key properties of (4-ethenyl-7,7-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl) triethyl silicate?
(4-ethenyl-7,7-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl) triethyl silicate has a molecular weight of 342.51 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-7,7-dimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl) triethyl silicate is sourced from PubChem (CID 142745574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).