2-hydroxyacetic acid;oxepan-2-one

C8H14O5 — CID 118290388

IUPAC2-hydroxyacetic acid;oxepan-2-one
SMILESO=C(O)CO.O=C1CCCCCO1
InChIInChI=1S/C6H10O2.C2H4O3/c7-6-4-2-1-3-5-8-6;3-1-2(4)5/h1-5H2;3H,1H2,(H,4,5)
InChIKeyGQLCSJBRVSWWDV-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.17
Rot. Bonds1

About 2-hydroxyacetic acid;oxepan-2-one

2-hydroxyacetic acid;oxepan-2-one (PubChem CID 118290388) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 2-hydroxyacetic acid;oxepan-2-one.

Molecular Properties

Compound Name2-hydroxyacetic acid;oxepan-2-one
PubChem CID118290388
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name2-hydroxyacetic acid;oxepan-2-one
SMILESO=C(O)CO.O=C1CCCCCO1
InChIInChI=1S/C6H10O2.C2H4O3/c7-6-4-2-1-3-5-8-6;3-1-2(4)5/h1-5H2;3H,1H2,(H,4,5)
InChIKeyGQLCSJBRVSWWDV-UHFFFAOYSA-N
XLogP0.17
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetic acid;oxepan-2-one?
The IUPAC name of 2-hydroxyacetic acid;oxepan-2-one (CID 118290388) is 2-hydroxyacetic acid;oxepan-2-one.
What is the SMILES notation for 2-hydroxyacetic acid;oxepan-2-one?
The canonical SMILES for 2-hydroxyacetic acid;oxepan-2-one is O=C(O)CO.O=C1CCCCCO1.
What is the InChIKey of 2-hydroxyacetic acid;oxepan-2-one?
The InChIKey is GQLCSJBRVSWWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C2H4O3/c7-6-4-2-1-3-5-8-6;3-1-2(4)5/h1-5H2;3H,1H2,(H,4,5).
What are the key properties of 2-hydroxyacetic acid;oxepan-2-one?
2-hydroxyacetic acid;oxepan-2-one has a molecular weight of 190.19 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetic acid;oxepan-2-one is sourced from PubChem (CID 118290388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).