2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-dipropylsilane

C16H30OSi — CID 22229061

IUPAC2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-dipropylsilane
SMILESCCC[Si](CCC)(CC1CC2C=CC1C2)OCC
InChIInChI=1S/C16H30OSi/c1-4-9-18(10-5-2,17-6-3)13-16-12-14-7-8-15(16)11-14/h7-8,14-16H,4-6,9-13H2,1-3H3
InChIKeyKRSACQPPIMNCDG-UHFFFAOYSA-N
MW266.50 g/mol
LogP5.00
Rot. Bonds8

About 2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-dipropylsilane

2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-dipropylsilane (PubChem CID 22229061) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-dipropylsilane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-dipropylsilane
PubChem CID22229061
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-dipropylsilane
SMILESCCC[Si](CCC)(CC1CC2C=CC1C2)OCC
InChIInChI=1S/C16H30OSi/c1-4-9-18(10-5-2,17-6-3)13-16-12-14-7-8-15(16)11-14/h7-8,14-16H,4-6,9-13H2,1-3H3
InChIKeyKRSACQPPIMNCDG-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
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 2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-dipropylsilane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-dipropylsilane (CID 22229061) is 2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-dipropylsilane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-dipropylsilane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-dipropylsilane is CCC[Si](CCC)(CC1CC2C=CC1C2)OCC.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-dipropylsilane?
The InChIKey is KRSACQPPIMNCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-4-9-18(10-5-2,17-6-3)13-16-12-14-7-8-15(16)11-14/h7-8,14-16H,4-6,9-13H2,1-3H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-dipropylsilane?
2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-dipropylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethyl-ethoxy-dipropylsilane is sourced from PubChem (CID 22229061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).