2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilinane

C13H22O2Si — CID 69438958

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilinane
SMILESCC1CO[Si](C)(C2CC3C=CC2C3)OC1C
InChIInChI=1S/C13H22O2Si/c1-9-8-14-16(3,15-10(9)2)13-7-11-4-5-12(13)6-11/h4-5,9-13H,6-8H2,1-3H3
InChIKeyQISQKVZLRSSLCM-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.10
Rot. Bonds1

About 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilinane

2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilinane (PubChem CID 69438958) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilinane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilinane
PubChem CID69438958
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilinane
SMILESCC1CO[Si](C)(C2CC3C=CC2C3)OC1C
InChIInChI=1S/C13H22O2Si/c1-9-8-14-16(3,15-10(9)2)13-7-11-4-5-12(13)6-11/h4-5,9-13H,6-8H2,1-3H3
InChIKeyQISQKVZLRSSLCM-UHFFFAOYSA-N
XLogP3.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilinane with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilolane
CID 22138468
2-(2-bicyclo[2.2.1]hept-5-enyl)-2,5-dimethyl-1,3,2-dioxasilinane
CID 68977297
2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4-dimethyl-1,3,2-dioxasilinane
CID 22138457
CID 58838719
CID 58838719
5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene
CID 20708566
(1R)-bicyclo[2.2.1]hept-5-en-2-ol
CID 67822008
bicyclo[2.2.1]hept-5-en-2-ol;trimethyl(trimethylsilyloxy)silane
CID 67499991
2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 58802956
2-bicyclo[2.2.1]hept-5-enyl-dimethyl-phenylsilane
CID 23499933
2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane
CID 101130839
[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane
CID 134979166
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilinane?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilinane (CID 69438958) is 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilinane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilinane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilinane is CC1CO[Si](C)(C2CC3C=CC2C3)OC1C.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilinane?
The InChIKey is QISQKVZLRSSLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-9-8-14-16(3,15-10(9)2)13-7-11-4-5-12(13)6-11/h4-5,9-13H,6-8H2,1-3H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilinane?
2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilinane has a molecular weight of 238.40 g/mol, XLogP of 3.10, 1 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)-2,4,5-trimethyl-1,3,2-dioxasilinane is sourced from PubChem (CID 69438958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).