3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane

C12H18O2 — CID 23555976

IUPAC3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane
SMILESC1=CC2CC1CC2COC1CCOC1
InChIInChI=1S/C12H18O2/c1-2-10-5-9(1)6-11(10)7-14-12-3-4-13-8-12/h1-2,9-12H,3-8H2
InChIKeyHVIBUQVPDUUGNG-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.00
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane

3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane (PubChem CID 23555976) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane
PubChem CID23555976
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane
SMILESC1=CC2CC1CC2COC1CCOC1
InChIInChI=1S/C12H18O2/c1-2-10-5-9(1)6-11(10)7-14-12-3-4-13-8-12/h1-2,9-12H,3-8H2
InChIKeyHVIBUQVPDUUGNG-UHFFFAOYSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane (CID 23555976) is 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane is C1=CC2CC1CC2COC1CCOC1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane?
The InChIKey is HVIBUQVPDUUGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-10-5-9(1)6-11(10)7-14-12-3-4-13-8-12/h1-2,9-12H,3-8H2.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane?
3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane has a molecular weight of 194.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)oxolane is sourced from PubChem (CID 23555976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).