[2-bicyclo[2.2.1]heptanyl(dimethyl)silyl] 2-methylpenta-2,3-dienoate

C15H24O2Si — CID 174496024

IUPAC[2-bicyclo[2.2.1]heptanyl(dimethyl)silyl] 2-methylpenta-2,3-dienoate
SMILESCC=C=C(C)C(=O)O[Si](C)(C)C1CC2CCC1C2
InChIInChI=1S/C15H24O2Si/c1-5-6-11(2)15(16)17-18(3,4)14-10-12-7-8-13(14)9-12/h5,12-14H,7-10H2,1-4H3
InChIKeyHHLPEZUYALISBQ-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.05
Rot. Bonds3

About [2-bicyclo[2.2.1]heptanyl(dimethyl)silyl] 2-methylpenta-2,3-dienoate

[2-bicyclo[2.2.1]heptanyl(dimethyl)silyl] 2-methylpenta-2,3-dienoate (PubChem CID 174496024) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is [2-bicyclo[2.2.1]heptanyl(dimethyl)silyl] 2-methylpenta-2,3-dienoate.

Molecular Properties

Compound Name[2-bicyclo[2.2.1]heptanyl(dimethyl)silyl] 2-methylpenta-2,3-dienoate
PubChem CID174496024
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Name[2-bicyclo[2.2.1]heptanyl(dimethyl)silyl] 2-methylpenta-2,3-dienoate
SMILESCC=C=C(C)C(=O)O[Si](C)(C)C1CC2CCC1C2
InChIInChI=1S/C15H24O2Si/c1-5-6-11(2)15(16)17-18(3,4)14-10-12-7-8-13(14)9-12/h5,12-14H,7-10H2,1-4H3
InChIKeyHHLPEZUYALISBQ-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-bicyclo[2.2.1]heptanyl(dimethyl)silyl] 2-methylpenta-2,3-dienoate?
The IUPAC name of [2-bicyclo[2.2.1]heptanyl(dimethyl)silyl] 2-methylpenta-2,3-dienoate (CID 174496024) is [2-bicyclo[2.2.1]heptanyl(dimethyl)silyl] 2-methylpenta-2,3-dienoate.
What is the SMILES notation for [2-bicyclo[2.2.1]heptanyl(dimethyl)silyl] 2-methylpenta-2,3-dienoate?
The canonical SMILES for [2-bicyclo[2.2.1]heptanyl(dimethyl)silyl] 2-methylpenta-2,3-dienoate is CC=C=C(C)C(=O)O[Si](C)(C)C1CC2CCC1C2.
What is the InChIKey of [2-bicyclo[2.2.1]heptanyl(dimethyl)silyl] 2-methylpenta-2,3-dienoate?
The InChIKey is HHLPEZUYALISBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-5-6-11(2)15(16)17-18(3,4)14-10-12-7-8-13(14)9-12/h5,12-14H,7-10H2,1-4H3.
What are the key properties of [2-bicyclo[2.2.1]heptanyl(dimethyl)silyl] 2-methylpenta-2,3-dienoate?
[2-bicyclo[2.2.1]heptanyl(dimethyl)silyl] 2-methylpenta-2,3-dienoate has a molecular weight of 264.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bicyclo[2.2.1]heptanyl(dimethyl)silyl] 2-methylpenta-2,3-dienoate is sourced from PubChem (CID 174496024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).