triethyl-[[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methyl]silane

C15H28Si — CID 123680223

IUPACtriethyl-[[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methyl]silane
SMILESCC[Si](CC)(CC)CC1=C(C)[C@H]2CC[C@@H]1C2
InChIInChI=1S/C15H28Si/c1-5-16(6-2,7-3)11-15-12(4)13-8-9-14(15)10-13/h13-14H,5-11H2,1-4H3/t13-,14+/m0/s1
InChIKeyPTBYMKCTKIAONP-UONOGXRCSA-N
MW236.47 g/mol
LogP5.24
Rot. Bonds5

About triethyl-[[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methyl]silane

triethyl-[[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methyl]silane (PubChem CID 123680223) has the molecular formula C15H28Si and a molecular weight of 236.47 g/mol. Its IUPAC name is triethyl-[[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methyl]silane.

Molecular Properties

Compound Nametriethyl-[[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methyl]silane
PubChem CID123680223
Molecular FormulaC15H28Si
Molecular Weight236.47 g/mol
Exact Mass236.20
IUPAC Nametriethyl-[[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methyl]silane
SMILESCC[Si](CC)(CC)CC1=C(C)[C@H]2CC[C@@H]1C2
InChIInChI=1S/C15H28Si/c1-5-16(6-2,7-3)11-15-12(4)13-8-9-14(15)10-13/h13-14H,5-11H2,1-4H3/t13-,14+/m0/s1
InChIKeyPTBYMKCTKIAONP-UONOGXRCSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.47
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 triethyl-[[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methyl]silane?
The IUPAC name of triethyl-[[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methyl]silane (CID 123680223) is triethyl-[[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methyl]silane.
What is the SMILES notation for triethyl-[[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methyl]silane?
The canonical SMILES for triethyl-[[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methyl]silane is CC[Si](CC)(CC)CC1=C(C)[C@H]2CC[C@@H]1C2.
What is the InChIKey of triethyl-[[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methyl]silane?
The InChIKey is PTBYMKCTKIAONP-UONOGXRCSA-N. The full InChI is InChI=1S/C15H28Si/c1-5-16(6-2,7-3)11-15-12(4)13-8-9-14(15)10-13/h13-14H,5-11H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of triethyl-[[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methyl]silane?
triethyl-[[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methyl]silane has a molecular weight of 236.47 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[(1R,4S)-3-methyl-2-bicyclo[2.2.1]hept-2-enyl]methyl]silane is sourced from PubChem (CID 123680223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).