2-bicyclo[2.2.1]heptanyl-diethoxy-methylsilane

C12H24O2Si — CID 13222367

IUPAC2-bicyclo[2.2.1]heptanyl-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)C1CC2CCC1C2
InChIInChI=1S/C12H24O2Si/c1-4-13-15(3,14-5-2)12-9-10-6-7-11(12)8-10/h10-12H,4-9H2,1-3H3
InChIKeyFECQGGKOKRMNSC-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.32
Rot. Bonds5

About 2-bicyclo[2.2.1]heptanyl-diethoxy-methylsilane

2-bicyclo[2.2.1]heptanyl-diethoxy-methylsilane (PubChem CID 13222367) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-diethoxy-methylsilane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-diethoxy-methylsilane
PubChem CID13222367
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name2-bicyclo[2.2.1]heptanyl-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)C1CC2CCC1C2
InChIInChI=1S/C12H24O2Si/c1-4-13-15(3,14-5-2)12-9-10-6-7-11(12)8-10/h10-12H,4-9H2,1-3H3
InChIKeyFECQGGKOKRMNSC-UHFFFAOYSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.32
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 2-bicyclo[2.2.1]heptanyl-diethoxy-methylsilane?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-diethoxy-methylsilane (CID 13222367) is 2-bicyclo[2.2.1]heptanyl-diethoxy-methylsilane.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-diethoxy-methylsilane?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-diethoxy-methylsilane is CCO[Si](C)(OCC)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-diethoxy-methylsilane?
The InChIKey is FECQGGKOKRMNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-4-13-15(3,14-5-2)12-9-10-6-7-11(12)8-10/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-diethoxy-methylsilane?
2-bicyclo[2.2.1]heptanyl-diethoxy-methylsilane has a molecular weight of 228.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-diethoxy-methylsilane is sourced from PubChem (CID 13222367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).