[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-triethoxysilane

C13H24O3Si — CID 11054286

IUPAC[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C13H24O3Si/c1-4-14-17(15-5-2,16-6-3)13-10-11-7-8-12(13)9-11/h7-8,11-13H,4-6,9-10H2,1-3H3/t11-,12+,13?/m0/s1
InChIKeyHHKDWDAAEFGBAC-LAGVYOHYSA-N
MW256.42 g/mol
LogP3.00
Rot. Bonds7

About [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-triethoxysilane

[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-triethoxysilane (PubChem CID 11054286) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-triethoxysilane.

Molecular Properties

Compound Name[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-triethoxysilane
PubChem CID11054286
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C13H24O3Si/c1-4-14-17(15-5-2,16-6-3)13-10-11-7-8-12(13)9-11/h7-8,11-13H,4-6,9-10H2,1-3H3/t11-,12+,13?/m0/s1
InChIKeyHHKDWDAAEFGBAC-LAGVYOHYSA-N
XLogP3.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-triethoxysilane?
The IUPAC name of [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-triethoxysilane (CID 11054286) is [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-triethoxysilane.
What is the SMILES notation for [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-triethoxysilane?
The canonical SMILES for [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-triethoxysilane is CCO[Si](OCC)(OCC)C1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-triethoxysilane?
The InChIKey is HHKDWDAAEFGBAC-LAGVYOHYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-4-14-17(15-5-2,16-6-3)13-10-11-7-8-12(13)9-11/h7-8,11-13H,4-6,9-10H2,1-3H3/t11-,12+,13?/m0/s1.
What are the key properties of [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-triethoxysilane?
[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-triethoxysilane has a molecular weight of 256.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-triethoxysilane is sourced from PubChem (CID 11054286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).