oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one

C15H18O4 — CID 86748747

IUPACoxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESC1CO1.O=C1CCCc2c(OC[C@@H]3CO3)cccc21
InChIInChI=1S/C13H14O3.C2H4O/c14-12-5-1-4-11-10(12)3-2-6-13(11)16-8-9-7-15-9;1-2-3-1/h2-3,6,9H,1,4-5,7-8H2;1-2H2/t9-;/m0./s1
InChIKeyVUUYIVOVDSICEH-FVGYRXGTSA-N
MW262.31 g/mol
LogP2.00
Rot. Bonds3

About oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one

oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 86748747) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Nameoxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID86748747
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Nameoxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESC1CO1.O=C1CCCc2c(OC[C@@H]3CO3)cccc21
InChIInChI=1S/C13H14O3.C2H4O/c14-12-5-1-4-11-10(12)3-2-6-13(11)16-8-9-7-15-9;1-2-3-1/h2-3,6,9H,1,4-5,7-8H2;1-2H2/t9-;/m0./s1
InChIKeyVUUYIVOVDSICEH-FVGYRXGTSA-N
XLogP2.00
TPSA51.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 86748747) is oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one is C1CO1.O=C1CCCc2c(OC[C@@H]3CO3)cccc21.
What is the InChIKey of oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is VUUYIVOVDSICEH-FVGYRXGTSA-N. The full InChI is InChI=1S/C13H14O3.C2H4O/c14-12-5-1-4-11-10(12)3-2-6-13(11)16-8-9-7-15-9;1-2-3-1/h2-3,6,9H,1,4-5,7-8H2;1-2H2/t9-;/m0./s1.
What are the key properties of oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one?
oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 262.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 86748747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).