1-naphthalen-1-yl-7-oxabicyclo[4.1.0]heptane

C16H16O — CID 15441962

IUPAC1-naphthalen-1-yl-7-oxabicyclo[4.1.0]heptane
SMILESc1ccc2c(C34CCCCC3O4)cccc2c1
InChIInChI=1S/C16H16O/c1-2-8-13-12(6-1)7-5-9-14(13)16-11-4-3-10-15(16)17-16/h1-2,5-9,15H,3-4,10-11H2
InChIKeyANBOPWKPUIMCGY-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.01
Rot. Bonds1

About 1-naphthalen-1-yl-7-oxabicyclo[4.1.0]heptane

1-naphthalen-1-yl-7-oxabicyclo[4.1.0]heptane (PubChem CID 15441962) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-naphthalen-1-yl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-naphthalen-1-yl-7-oxabicyclo[4.1.0]heptane
PubChem CID15441962
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-naphthalen-1-yl-7-oxabicyclo[4.1.0]heptane
SMILESc1ccc2c(C34CCCCC3O4)cccc2c1
InChIInChI=1S/C16H16O/c1-2-8-13-12(6-1)7-5-9-14(13)16-11-4-3-10-15(16)17-16/h1-2,5-9,15H,3-4,10-11H2
InChIKeyANBOPWKPUIMCGY-UHFFFAOYSA-N
XLogP4.01
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Benzo(a)pyrene 4,5-epoxide
CID 37786
6b,7a-Dihydrobenzo(10,11)chryseno(1,2-b)oxirene
CID 37455
2-(Naphthalen-2-yl)oxirane
CID 30333
Ethyl trityl ether
CID 294563
1-Naphthylmethyl methyl ether
CID 22195
8b,9a-Dihydropyreno(4,5-b)oxirene
CID 108016
1a,11b-Dihydrochryseno(5,6-b)oxirene
CID 27062
1a,9b-Dihydrophenanthro(9,10-b)oxirene
CID 104975
1-Phenyl-7-oxabicyclo[4.1.0]heptane
CID 100193
Naphthalan
CID 588214
(R)-Glycidyl Trityl Ether
CID 2734442
(S)-Glycidyl Trityl Ether
CID 7168113

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 1-naphthalen-1-yl-7-oxabicyclo[4.1.0]heptane (CID 15441962) is 1-naphthalen-1-yl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 1-naphthalen-1-yl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 1-naphthalen-1-yl-7-oxabicyclo[4.1.0]heptane is c1ccc2c(C34CCCCC3O4)cccc2c1.
What is the InChIKey of 1-naphthalen-1-yl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is ANBOPWKPUIMCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-2-8-13-12(6-1)7-5-9-14(13)16-11-4-3-10-15(16)17-16/h1-2,5-9,15H,3-4,10-11H2.
What are the key properties of 1-naphthalen-1-yl-7-oxabicyclo[4.1.0]heptane?
1-naphthalen-1-yl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 224.30 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 15441962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).