2-bicyclo[2.2.1]heptanyl-cyclopentyl-dimethoxysilane

C14H26O2Si — CID 139668826

IUPAC2-bicyclo[2.2.1]heptanyl-cyclopentyl-dimethoxysilane
SMILESCO[Si](OC)(C1CCCC1)C1CC2CCC1C2
InChIInChI=1S/C14H26O2Si/c1-15-17(16-2,13-5-3-4-6-13)14-10-11-7-8-12(14)9-11/h11-14H,3-10H2,1-2H3
InChIKeyQEOYTMOKLCHUMJ-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.86
Rot. Bonds4

About 2-bicyclo[2.2.1]heptanyl-cyclopentyl-dimethoxysilane

2-bicyclo[2.2.1]heptanyl-cyclopentyl-dimethoxysilane (PubChem CID 139668826) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-cyclopentyl-dimethoxysilane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-cyclopentyl-dimethoxysilane
PubChem CID139668826
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name2-bicyclo[2.2.1]heptanyl-cyclopentyl-dimethoxysilane
SMILESCO[Si](OC)(C1CCCC1)C1CC2CCC1C2
InChIInChI=1S/C14H26O2Si/c1-15-17(16-2,13-5-3-4-6-13)14-10-11-7-8-12(14)9-11/h11-14H,3-10H2,1-2H3
InChIKeyQEOYTMOKLCHUMJ-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.86
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-cyclopentyl-dimethoxysilane?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-cyclopentyl-dimethoxysilane (CID 139668826) is 2-bicyclo[2.2.1]heptanyl-cyclopentyl-dimethoxysilane.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-cyclopentyl-dimethoxysilane?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-cyclopentyl-dimethoxysilane is CO[Si](OC)(C1CCCC1)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-cyclopentyl-dimethoxysilane?
The InChIKey is QEOYTMOKLCHUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-15-17(16-2,13-5-3-4-6-13)14-10-11-7-8-12(14)9-11/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-cyclopentyl-dimethoxysilane?
2-bicyclo[2.2.1]heptanyl-cyclopentyl-dimethoxysilane has a molecular weight of 254.45 g/mol, XLogP of 3.86, 4 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-cyclopentyl-dimethoxysilane is sourced from PubChem (CID 139668826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).