spiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one

C11H12O2 — CID 11084410

IUPACspiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one
SMILESO=C1C=CC2=C(CCCC2)C12CO2
InChIInChI=1S/C11H12O2/c12-10-6-5-8-3-1-2-4-9(8)11(10)7-13-11/h5-6H,1-4,7H2
InChIKeyNSHLFJAWRQFIFN-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.76
Rot. Bonds

About spiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one

spiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one (PubChem CID 11084410) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is spiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one.

Molecular Properties

Compound Namespiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one
PubChem CID11084410
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Namespiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one
SMILESO=C1C=CC2=C(CCCC2)C12CO2
InChIInChI=1S/C11H12O2/c12-10-6-5-8-3-1-2-4-9(8)11(10)7-13-11/h5-6H,1-4,7H2
InChIKeyNSHLFJAWRQFIFN-UHFFFAOYSA-N
XLogP1.76
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

spiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
CID 24752228
(3S)-5-(3-hydroxyhex-5-enyl)-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 135042363
Spiro[5,6,7,8-tetrahydronaphthalene-2,2'-oxirane]-1-one
CID 11355803
(3R)-5-cyclohexyl-8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 60104833
1a,2,3,4-Tetrahydronaphtho[1,8a-b]oxiren-8-one
CID 60116994
3a,4,5,5a-Tetrahydrobenzo[e][1]benzofuran-1-one
CID 140474925
6-Pentyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione
CID 141040292
6-Ethyl-15-oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione
CID 141301065
15-Oxatetracyclo[8.5.0.01,14.03,8]pentadeca-3(8),10,12-triene-2,9-dione
CID 141437524
4-Pentadecyl-1-oxaspiro[2.5]octa-4,6-dien-8-one
CID 148241057
5-Cyclohexyl-8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 23519162
6-bromospiro[2,3-dihydro-1H-indene-4,2'-oxirane]-5-one
CID 24752657

Frequently Asked Questions

What is the IUPAC name of spiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one?
The IUPAC name of spiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one (CID 11084410) is spiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one.
What is the SMILES notation for spiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one?
The canonical SMILES for spiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one is O=C1C=CC2=C(CCCC2)C12CO2.
What is the InChIKey of spiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one?
The InChIKey is NSHLFJAWRQFIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-10-6-5-8-3-1-2-4-9(8)11(10)7-13-11/h5-6H,1-4,7H2.
What are the key properties of spiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one?
spiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5,6,7,8-tetrahydronaphthalene-1,2'-oxirane]-2-one is sourced from PubChem (CID 11084410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).