[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane

C12H22O2Si — CID 173198502

IUPAC[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane
SMILESCOC([SiH3])(CCC1CC2C=CC1C2)OC
InChIInChI=1S/C12H22O2Si/c1-13-12(15,14-2)6-5-11-8-9-3-4-10(11)7-9/h3-4,9-11H,5-8H2,1-2,15H3
InChIKeyKMXRIDQGQAYXBZ-UHFFFAOYSA-N
MW226.39 g/mol
LogP1.29
Rot. Bonds5

About [3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane

[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane (PubChem CID 173198502) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is [3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane.

Molecular Properties

Compound Name[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane
PubChem CID173198502
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane
SMILESCOC([SiH3])(CCC1CC2C=CC1C2)OC
InChIInChI=1S/C12H22O2Si/c1-13-12(15,14-2)6-5-11-8-9-3-4-10(11)7-9/h3-4,9-11H,5-8H2,1-2,15H3
InChIKeyKMXRIDQGQAYXBZ-UHFFFAOYSA-N
XLogP1.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 51.29
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

CID 22228920
CID 22228920
[4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-diethoxybutyl]silane
CID 173198637
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane
CID 124630606
[11-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichloroundecyl]silane
CID 173198534
5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane
CID 158426911
5-(8-methoxyoctyl)bicyclo[2.2.1]hept-2-ene
CID 59748193
1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol
CID 21361771
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine
CID 98147464
2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane
CID 169018395
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682

Frequently Asked Questions

What is the IUPAC name of [3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane?
The IUPAC name of [3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane (CID 173198502) is [3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane.
What is the SMILES notation for [3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane?
The canonical SMILES for [3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane is COC([SiH3])(CCC1CC2C=CC1C2)OC.
What is the InChIKey of [3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane?
The InChIKey is KMXRIDQGQAYXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-13-12(15,14-2)6-5-11-8-9-3-4-10(11)7-9/h3-4,9-11H,5-8H2,1-2,15H3.
What are the key properties of [3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane?
[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane has a molecular weight of 226.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dimethoxypropyl]silane is sourced from PubChem (CID 173198502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).