1-[(1S)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-en-2-yl]propan-1-one

C20H20O2 — CID 68930258

IUPAC1-[(1S)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-en-2-yl]propan-1-one
SMILESCCC(=O)C1=C(c2ccc3ccccc3c2)CC2CC[C@@H]1O2
InChIInChI=1S/C20H20O2/c1-2-18(21)20-17(12-16-9-10-19(20)22-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16,19H,2,9-10,12H2,1H3/t16?,19-/m0/s1
InChIKeyZUGPOPARZWNAPA-CVMIBEPCSA-N
MW292.38 g/mol
LogP4.52
Rot. Bonds3

About 1-[(1S)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-en-2-yl]propan-1-one

1-[(1S)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-en-2-yl]propan-1-one (PubChem CID 68930258) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(1S)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-en-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(1S)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-en-2-yl]propan-1-one
PubChem CID68930258
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name1-[(1S)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-en-2-yl]propan-1-one
SMILESCCC(=O)C1=C(c2ccc3ccccc3c2)CC2CC[C@@H]1O2
InChIInChI=1S/C20H20O2/c1-2-18(21)20-17(12-16-9-10-19(20)22-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16,19H,2,9-10,12H2,1H3/t16?,19-/m0/s1
InChIKeyZUGPOPARZWNAPA-CVMIBEPCSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-en-2-yl]propan-1-one?
The IUPAC name of 1-[(1S)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-en-2-yl]propan-1-one (CID 68930258) is 1-[(1S)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-en-2-yl]propan-1-one.
What is the SMILES notation for 1-[(1S)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-en-2-yl]propan-1-one?
The canonical SMILES for 1-[(1S)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-en-2-yl]propan-1-one is CCC(=O)C1=C(c2ccc3ccccc3c2)CC2CC[C@@H]1O2.
What is the InChIKey of 1-[(1S)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-en-2-yl]propan-1-one?
The InChIKey is ZUGPOPARZWNAPA-CVMIBEPCSA-N. The full InChI is InChI=1S/C20H20O2/c1-2-18(21)20-17(12-16-9-10-19(20)22-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16,19H,2,9-10,12H2,1H3/t16?,19-/m0/s1.
What are the key properties of 1-[(1S)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-en-2-yl]propan-1-one?
1-[(1S)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-en-2-yl]propan-1-one has a molecular weight of 292.38 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-en-2-yl]propan-1-one is sourced from PubChem (CID 68930258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).