2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane

C13H20O — CID 18676486

IUPAC2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane
SMILESC1=CC2CC1CC2CCC1CCCO1
InChIInChI=1S/C13H20O/c1-2-13(14-7-1)6-5-12-9-10-3-4-11(12)8-10/h3-4,10-13H,1-2,5-9H2
InChIKeySIYYZXOGKIEFFO-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.16
Rot. Bonds3

About 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane

2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane (PubChem CID 18676486) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane.

Molecular Properties

Compound Name2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane
PubChem CID18676486
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane
SMILESC1=CC2CC1CC2CCC1CCCO1
InChIInChI=1S/C13H20O/c1-2-13(14-7-1)6-5-12-9-10-3-4-11(12)8-10/h3-4,10-13H,1-2,5-9H2
InChIKeySIYYZXOGKIEFFO-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane?
The IUPAC name of 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane (CID 18676486) is 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane.
What is the SMILES notation for 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane?
The canonical SMILES for 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane is C1=CC2CC1CC2CCC1CCCO1.
What is the InChIKey of 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane?
The InChIKey is SIYYZXOGKIEFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-2-13(14-7-1)6-5-12-9-10-3-4-11(12)8-10/h3-4,10-13H,1-2,5-9H2.
What are the key properties of 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane?
2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane has a molecular weight of 192.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]oxolane is sourced from PubChem (CID 18676486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).