6-[(2S,6S)-6-ethyl-2-methoxyoxan-2-yl]-4-methoxypyran-2-one

C14H20O5 — CID 170988716

IUPAC6-[(2S,6S)-6-ethyl-2-methoxyoxan-2-yl]-4-methoxypyran-2-one
SMILESCC[C@H]1CCC[C@@](OC)(c2cc(OC)cc(=O)o2)O1
InChIInChI=1S/C14H20O5/c1-4-10-6-5-7-14(17-3,19-10)12-8-11(16-2)9-13(15)18-12/h8-10H,4-7H2,1-3H3/t10-,14-/m0/s1
InChIKeyOCAHQLKLVJQRRU-HZMBPMFUSA-N
MW268.31 g/mol
LogP2.43
Rot. Bonds4

About 6-[(2S,6S)-6-ethyl-2-methoxyoxan-2-yl]-4-methoxypyran-2-one

6-[(2S,6S)-6-ethyl-2-methoxyoxan-2-yl]-4-methoxypyran-2-one (PubChem CID 170988716) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 6-[(2S,6S)-6-ethyl-2-methoxyoxan-2-yl]-4-methoxypyran-2-one.

Molecular Properties

Compound Name6-[(2S,6S)-6-ethyl-2-methoxyoxan-2-yl]-4-methoxypyran-2-one
PubChem CID170988716
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name6-[(2S,6S)-6-ethyl-2-methoxyoxan-2-yl]-4-methoxypyran-2-one
SMILESCC[C@H]1CCC[C@@](OC)(c2cc(OC)cc(=O)o2)O1
InChIInChI=1S/C14H20O5/c1-4-10-6-5-7-14(17-3,19-10)12-8-11(16-2)9-13(15)18-12/h8-10H,4-7H2,1-3H3/t10-,14-/m0/s1
InChIKeyOCAHQLKLVJQRRU-HZMBPMFUSA-N
XLogP2.43
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S,6S)-6-ethyl-2-methoxyoxan-2-yl]-4-methoxypyran-2-one?
The IUPAC name of 6-[(2S,6S)-6-ethyl-2-methoxyoxan-2-yl]-4-methoxypyran-2-one (CID 170988716) is 6-[(2S,6S)-6-ethyl-2-methoxyoxan-2-yl]-4-methoxypyran-2-one.
What is the SMILES notation for 6-[(2S,6S)-6-ethyl-2-methoxyoxan-2-yl]-4-methoxypyran-2-one?
The canonical SMILES for 6-[(2S,6S)-6-ethyl-2-methoxyoxan-2-yl]-4-methoxypyran-2-one is CC[C@H]1CCC[C@@](OC)(c2cc(OC)cc(=O)o2)O1.
What is the InChIKey of 6-[(2S,6S)-6-ethyl-2-methoxyoxan-2-yl]-4-methoxypyran-2-one?
The InChIKey is OCAHQLKLVJQRRU-HZMBPMFUSA-N. The full InChI is InChI=1S/C14H20O5/c1-4-10-6-5-7-14(17-3,19-10)12-8-11(16-2)9-13(15)18-12/h8-10H,4-7H2,1-3H3/t10-,14-/m0/s1.
What are the key properties of 6-[(2S,6S)-6-ethyl-2-methoxyoxan-2-yl]-4-methoxypyran-2-one?
6-[(2S,6S)-6-ethyl-2-methoxyoxan-2-yl]-4-methoxypyran-2-one has a molecular weight of 268.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,6S)-6-ethyl-2-methoxyoxan-2-yl]-4-methoxypyran-2-one is sourced from PubChem (CID 170988716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).