bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;trimethylsilane

C11H20O2Si — CID 173193263

IUPACbicyclo[2.2.1]hept-2-ene-1-carboxylic acid;trimethylsilane
SMILESC[SiH](C)C.O=C(O)C12C=CC(CC1)C2
InChIInChI=1S/C8H10O2.C3H10Si/c9-7(10)8-3-1-6(5-8)2-4-8;1-4(2)3/h1,3,6H,2,4-5H2,(H,9,10);4H,1-3H3
InChIKeyXIJSVDUNFYMJKG-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.53
Rot. Bonds1

About bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;trimethylsilane

bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;trimethylsilane (PubChem CID 173193263) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;trimethylsilane.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene-1-carboxylic acid;trimethylsilane
PubChem CID173193263
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Namebicyclo[2.2.1]hept-2-ene-1-carboxylic acid;trimethylsilane
SMILESC[SiH](C)C.O=C(O)C12C=CC(CC1)C2
InChIInChI=1S/C8H10O2.C3H10Si/c9-7(10)8-3-1-6(5-8)2-4-8;1-4(2)3/h1,3,6H,2,4-5H2,(H,9,10);4H,1-3H3
InChIKeyXIJSVDUNFYMJKG-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;trimethylsilane?
The IUPAC name of bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;trimethylsilane (CID 173193263) is bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;trimethylsilane.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;trimethylsilane?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;trimethylsilane is C[SiH](C)C.O=C(O)C12C=CC(CC1)C2.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;trimethylsilane?
The InChIKey is XIJSVDUNFYMJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C3H10Si/c9-7(10)8-3-1-6(5-8)2-4-8;1-4(2)3/h1,3,6H,2,4-5H2,(H,9,10);4H,1-3H3.
What are the key properties of bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;trimethylsilane?
bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;trimethylsilane has a molecular weight of 212.36 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-2-ene-1-carboxylic acid;trimethylsilane is sourced from PubChem (CID 173193263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).