3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene

C17H16O — CID 70687403

IUPAC3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccc3ccccc3c2)CC2CCC1O2
InChIInChI=1S/C17H16O/c1-2-4-13-9-14(6-5-12(13)3-1)15-10-16-7-8-17(11-15)18-16/h1-6,9-10,16-17H,7-8,11H2
InChIKeyOLJSMOSQGDQUGA-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.17
Rot. Bonds1

About 3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene

3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene (PubChem CID 70687403) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene
PubChem CID70687403
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccc3ccccc3c2)CC2CCC1O2
InChIInChI=1S/C17H16O/c1-2-4-13-9-14(6-5-12(13)3-1)15-10-16-7-8-17(11-15)18-16/h1-6,9-10,16-17H,7-8,11H2
InChIKeyOLJSMOSQGDQUGA-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene (CID 70687403) is 3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene is C1=C(c2ccc3ccccc3c2)CC2CCC1O2.
What is the InChIKey of 3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene?
The InChIKey is OLJSMOSQGDQUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-2-4-13-9-14(6-5-12(13)3-1)15-10-16-7-8-17(11-15)18-16/h1-6,9-10,16-17H,7-8,11H2.
What are the key properties of 3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene?
3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene has a molecular weight of 236.31 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 70687403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).