(1S,5S,6S)-6-ethenyl-1-naphthalen-2-yl-2-oxabicyclo[3.1.0]hexan-3-one

C17H14O2 — CID 11288152

IUPAC(1S,5S,6S)-6-ethenyl-1-naphthalen-2-yl-2-oxabicyclo[3.1.0]hexan-3-one
SMILESC=C[C@H]1[C@@H]2CC(=O)O[C@]12c1ccc2ccccc2c1
InChIInChI=1S/C17H14O2/c1-2-14-15-10-16(18)19-17(14,15)13-8-7-11-5-3-4-6-12(11)9-13/h2-9,14-15H,1,10H2/t14-,15-,17+/m0/s1
InChIKeyBCNPYFCBIOYWJU-YQQAZPJKSA-N
MW250.30 g/mol
LogP3.41
Rot. Bonds2

About (1S,5S,6S)-6-ethenyl-1-naphthalen-2-yl-2-oxabicyclo[3.1.0]hexan-3-one

(1S,5S,6S)-6-ethenyl-1-naphthalen-2-yl-2-oxabicyclo[3.1.0]hexan-3-one (PubChem CID 11288152) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (1S,5S,6S)-6-ethenyl-1-naphthalen-2-yl-2-oxabicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name(1S,5S,6S)-6-ethenyl-1-naphthalen-2-yl-2-oxabicyclo[3.1.0]hexan-3-one
PubChem CID11288152
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name(1S,5S,6S)-6-ethenyl-1-naphthalen-2-yl-2-oxabicyclo[3.1.0]hexan-3-one
SMILESC=C[C@H]1[C@@H]2CC(=O)O[C@]12c1ccc2ccccc2c1
InChIInChI=1S/C17H14O2/c1-2-14-15-10-16(18)19-17(14,15)13-8-7-11-5-3-4-6-12(11)9-13/h2-9,14-15H,1,10H2/t14-,15-,17+/m0/s1
InChIKeyBCNPYFCBIOYWJU-YQQAZPJKSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.41
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 (1S,5S,6S)-6-ethenyl-1-naphthalen-2-yl-2-oxabicyclo[3.1.0]hexan-3-one?
The IUPAC name of (1S,5S,6S)-6-ethenyl-1-naphthalen-2-yl-2-oxabicyclo[3.1.0]hexan-3-one (CID 11288152) is (1S,5S,6S)-6-ethenyl-1-naphthalen-2-yl-2-oxabicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for (1S,5S,6S)-6-ethenyl-1-naphthalen-2-yl-2-oxabicyclo[3.1.0]hexan-3-one?
The canonical SMILES for (1S,5S,6S)-6-ethenyl-1-naphthalen-2-yl-2-oxabicyclo[3.1.0]hexan-3-one is C=C[C@H]1[C@@H]2CC(=O)O[C@]12c1ccc2ccccc2c1.
What is the InChIKey of (1S,5S,6S)-6-ethenyl-1-naphthalen-2-yl-2-oxabicyclo[3.1.0]hexan-3-one?
The InChIKey is BCNPYFCBIOYWJU-YQQAZPJKSA-N. The full InChI is InChI=1S/C17H14O2/c1-2-14-15-10-16(18)19-17(14,15)13-8-7-11-5-3-4-6-12(11)9-13/h2-9,14-15H,1,10H2/t14-,15-,17+/m0/s1.
What are the key properties of (1S,5S,6S)-6-ethenyl-1-naphthalen-2-yl-2-oxabicyclo[3.1.0]hexan-3-one?
(1S,5S,6S)-6-ethenyl-1-naphthalen-2-yl-2-oxabicyclo[3.1.0]hexan-3-one has a molecular weight of 250.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6S)-6-ethenyl-1-naphthalen-2-yl-2-oxabicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 11288152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).