2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-(2,2-diethoxyethyl)silane

C15H28O2Si — CID 123914409

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-(2,2-diethoxyethyl)silane
SMILESCCOC(C[SiH2]CCC1CC2C=CC1C2)OCC
InChIInChI=1S/C15H28O2Si/c1-3-16-15(17-4-2)11-18-8-7-14-10-12-5-6-13(14)9-12/h5-6,12-15H,3-4,7-11,18H2,1-2H3
InChIKeyCIGZTIOQPHGKEC-UHFFFAOYSA-N
MW268.47 g/mol
LogP2.99
Rot. Bonds9

About 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-(2,2-diethoxyethyl)silane

2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-(2,2-diethoxyethyl)silane (PubChem CID 123914409) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-(2,2-diethoxyethyl)silane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-(2,2-diethoxyethyl)silane
PubChem CID123914409
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-(2,2-diethoxyethyl)silane
SMILESCCOC(C[SiH2]CCC1CC2C=CC1C2)OCC
InChIInChI=1S/C15H28O2Si/c1-3-16-15(17-4-2)11-18-8-7-14-10-12-5-6-13(14)9-12/h5-6,12-15H,3-4,7-11,18H2,1-2H3
InChIKeyCIGZTIOQPHGKEC-UHFFFAOYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene
CID 160577628
2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane
CID 124630606
2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane
CID 124925724
2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[bis(2-methylprop-1-enylsilyloxy)methoxy]silane
CID 154440834
5-octadecylbicyclo[2.2.1]hept-2-ene
CID 22169146
5-heptylbicyclo[2.2.1]hept-2-ene
CID 22253270
5-butylbicyclo[2.2.1]hept-2-ene;5-pentylbicyclo[2.2.1]hept-2-ene
CID 159790983
(1S,4S,5S)-5-hexylbicyclo[2.2.1]hept-2-ene
CID 97304116
2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-silyloxysilyloxysilane
CID 154097521

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-(2,2-diethoxyethyl)silane?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-(2,2-diethoxyethyl)silane (CID 123914409) is 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-(2,2-diethoxyethyl)silane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-(2,2-diethoxyethyl)silane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-(2,2-diethoxyethyl)silane is CCOC(C[SiH2]CCC1CC2C=CC1C2)OCC.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-(2,2-diethoxyethyl)silane?
The InChIKey is CIGZTIOQPHGKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-3-16-15(17-4-2)11-18-8-7-14-10-12-5-6-13(14)9-12/h5-6,12-15H,3-4,7-11,18H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-(2,2-diethoxyethyl)silane?
2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-(2,2-diethoxyethyl)silane has a molecular weight of 268.47 g/mol, XLogP of 2.99, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-(2,2-diethoxyethyl)silane is sourced from PubChem (CID 123914409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).