2-[2-(1-tricyclo[5.2.1.02,6]dec-2-enyl)ethoxy]ethanol

C14H22O2 — CID 70499877

IUPAC2-[2-(1-tricyclo[5.2.1.02,6]dec-2-enyl)ethoxy]ethanol
SMILESOCCOCCC12CCC(C1)C1CCC=C12
InChIInChI=1S/C14H22O2/c15-7-9-16-8-6-14-5-4-11(10-14)12-2-1-3-13(12)14/h3,11-12,15H,1-2,4-10H2
InChIKeyONIRDTQEGSOWJW-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.52
Rot. Bonds5

About 2-[2-(1-tricyclo[5.2.1.02,6]dec-2-enyl)ethoxy]ethanol

2-[2-(1-tricyclo[5.2.1.02,6]dec-2-enyl)ethoxy]ethanol (PubChem CID 70499877) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[2-(1-tricyclo[5.2.1.02,6]dec-2-enyl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(1-tricyclo[5.2.1.02,6]dec-2-enyl)ethoxy]ethanol
PubChem CID70499877
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-[2-(1-tricyclo[5.2.1.02,6]dec-2-enyl)ethoxy]ethanol
SMILESOCCOCCC12CCC(C1)C1CCC=C12
InChIInChI=1S/C14H22O2/c15-7-9-16-8-6-14-5-4-11(10-14)12-2-1-3-13(12)14/h3,11-12,15H,1-2,4-10H2
InChIKeyONIRDTQEGSOWJW-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-tricyclo[5.2.1.02,6]dec-2-enyl)ethoxy]ethanol?
The IUPAC name of 2-[2-(1-tricyclo[5.2.1.02,6]dec-2-enyl)ethoxy]ethanol (CID 70499877) is 2-[2-(1-tricyclo[5.2.1.02,6]dec-2-enyl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(1-tricyclo[5.2.1.02,6]dec-2-enyl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(1-tricyclo[5.2.1.02,6]dec-2-enyl)ethoxy]ethanol is OCCOCCC12CCC(C1)C1CCC=C12.
What is the InChIKey of 2-[2-(1-tricyclo[5.2.1.02,6]dec-2-enyl)ethoxy]ethanol?
The InChIKey is ONIRDTQEGSOWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c15-7-9-16-8-6-14-5-4-11(10-14)12-2-1-3-13(12)14/h3,11-12,15H,1-2,4-10H2.
What are the key properties of 2-[2-(1-tricyclo[5.2.1.02,6]dec-2-enyl)ethoxy]ethanol?
2-[2-(1-tricyclo[5.2.1.02,6]dec-2-enyl)ethoxy]ethanol has a molecular weight of 222.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-tricyclo[5.2.1.02,6]dec-2-enyl)ethoxy]ethanol is sourced from PubChem (CID 70499877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).