2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol

C12H20O2 — CID 54219899

IUPAC2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol
SMILESOCCOC1CC2C3CCC(C3)C2C1
InChIInChI=1S/C12H20O2/c13-3-4-14-10-6-11-8-1-2-9(5-8)12(11)7-10/h8-13H,1-7H2
InChIKeyQBVGWYJMLIERHM-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.82
Rot. Bonds3

About 2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol

2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol (PubChem CID 54219899) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol.

Molecular Properties

Compound Name2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol
PubChem CID54219899
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol
SMILESOCCOC1CC2C3CCC(C3)C2C1
InChIInChI=1S/C12H20O2/c13-3-4-14-10-6-11-8-1-2-9(5-8)12(11)7-10/h8-13H,1-7H2
InChIKeyQBVGWYJMLIERHM-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol?
The IUPAC name of 2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol (CID 54219899) is 2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol.
What is the SMILES notation for 2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol?
The canonical SMILES for 2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol is OCCOC1CC2C3CCC(C3)C2C1.
What is the InChIKey of 2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol?
The InChIKey is QBVGWYJMLIERHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-3-4-14-10-6-11-8-1-2-9(5-8)12(11)7-10/h8-13H,1-7H2.
What are the key properties of 2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol?
2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol has a molecular weight of 196.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol is sourced from PubChem (CID 54219899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).