1-bicyclo[2.2.1]heptanyl-dimethoxy-(2-methylpropyl)silane

C13H26O2Si — CID 23439192

IUPAC1-bicyclo[2.2.1]heptanyl-dimethoxy-(2-methylpropyl)silane
SMILESCO[Si](CC(C)C)(OC)C12CCC(CC1)C2
InChIInChI=1S/C13H26O2Si/c1-11(2)10-16(14-3,15-4)13-7-5-12(9-13)6-8-13/h11-12H,5-10H2,1-4H3
InChIKeyJPTYALJJVNTTAL-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.71
Rot. Bonds5

About 1-bicyclo[2.2.1]heptanyl-dimethoxy-(2-methylpropyl)silane

1-bicyclo[2.2.1]heptanyl-dimethoxy-(2-methylpropyl)silane (PubChem CID 23439192) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]heptanyl-dimethoxy-(2-methylpropyl)silane.

Molecular Properties

Compound Name1-bicyclo[2.2.1]heptanyl-dimethoxy-(2-methylpropyl)silane
PubChem CID23439192
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name1-bicyclo[2.2.1]heptanyl-dimethoxy-(2-methylpropyl)silane
SMILESCO[Si](CC(C)C)(OC)C12CCC(CC1)C2
InChIInChI=1S/C13H26O2Si/c1-11(2)10-16(14-3,15-4)13-7-5-12(9-13)6-8-13/h11-12H,5-10H2,1-4H3
InChIKeyJPTYALJJVNTTAL-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.1]heptanyl-dimethoxy-(2-methylpropyl)silane?
The IUPAC name of 1-bicyclo[2.2.1]heptanyl-dimethoxy-(2-methylpropyl)silane (CID 23439192) is 1-bicyclo[2.2.1]heptanyl-dimethoxy-(2-methylpropyl)silane.
What is the SMILES notation for 1-bicyclo[2.2.1]heptanyl-dimethoxy-(2-methylpropyl)silane?
The canonical SMILES for 1-bicyclo[2.2.1]heptanyl-dimethoxy-(2-methylpropyl)silane is CO[Si](CC(C)C)(OC)C12CCC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]heptanyl-dimethoxy-(2-methylpropyl)silane?
The InChIKey is JPTYALJJVNTTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-11(2)10-16(14-3,15-4)13-7-5-12(9-13)6-8-13/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-bicyclo[2.2.1]heptanyl-dimethoxy-(2-methylpropyl)silane?
1-bicyclo[2.2.1]heptanyl-dimethoxy-(2-methylpropyl)silane has a molecular weight of 242.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]heptanyl-dimethoxy-(2-methylpropyl)silane is sourced from PubChem (CID 23439192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).