[4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane

C15H28O2Si — CID 173198637

IUPAC[4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane
SMILESCCOC([SiH3])(CCCC1CC2C=CC1C2)OCC
InChIInChI=1S/C15H28O2Si/c1-3-16-15(18,17-4-2)9-5-6-13-10-12-7-8-14(13)11-12/h7-8,12-14H,3-6,9-11H2,1-2,18H3
InChIKeyOUBDTTYUIRVHKK-UHFFFAOYSA-N
MW268.47 g/mol
LogP2.46
Rot. Bonds8

About [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane

[4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane (PubChem CID 173198637) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane.

Molecular Properties

Compound Name[4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane
PubChem CID173198637
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name[4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane
SMILESCCOC([SiH3])(CCCC1CC2C=CC1C2)OCC
InChIInChI=1S/C15H28O2Si/c1-3-16-15(18,17-4-2)9-5-6-13-10-12-7-8-14(13)11-12/h7-8,12-14H,3-6,9-11H2,1-2,18H3
InChIKeyOUBDTTYUIRVHKK-UHFFFAOYSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane
CID 173198502
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
[11-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichloroundecyl]silane
CID 173198534
5-butylbicyclo[2.2.1]hept-2-ene;5-pentylbicyclo[2.2.1]hept-2-ene
CID 159790983
5-octadecylbicyclo[2.2.1]hept-2-ene
CID 22169146
5-heptylbicyclo[2.2.1]hept-2-ene
CID 22253270
(1S,4S,5S)-5-hexylbicyclo[2.2.1]hept-2-ene
CID 97304116
5-butylbicyclo[2.2.1]hept-2-ene;5-ethylbicyclo[2.2.1]hept-2-ene
CID 160577628
2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane
CID 124925724
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
5-(6,6,6-trifluorohexyl)bicyclo[2.2.1]hept-2-ene
CID 135202055
5-(8-methoxyoctyl)bicyclo[2.2.1]hept-2-ene
CID 59748193

Frequently Asked Questions

What is the IUPAC name of [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane?
The IUPAC name of [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane (CID 173198637) is [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane.
What is the SMILES notation for [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane?
The canonical SMILES for [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane is CCOC([SiH3])(CCCC1CC2C=CC1C2)OCC.
What is the InChIKey of [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane?
The InChIKey is OUBDTTYUIRVHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-3-16-15(18,17-4-2)9-5-6-13-10-12-7-8-14(13)11-12/h7-8,12-14H,3-6,9-11H2,1-2,18H3.
What are the key properties of [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane?
[4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane has a molecular weight of 268.47 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane is sourced from PubChem (CID 173198637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).