2-[2-(2-hydroxyethoxy)ethoxy]ethanol;oxepan-2-one

C12H24O6 — CID 174645985

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethanol;oxepan-2-one
SMILESO=C1CCCCCO1.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C6H10O2/c7-1-3-9-5-6-10-4-2-8;7-6-4-2-1-3-5-8-6/h7-8H,1-6H2;1-5H2
InChIKeyHYFUTKMRMROCDY-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.11
Rot. Bonds7

About 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;oxepan-2-one

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;oxepan-2-one (PubChem CID 174645985) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;oxepan-2-one.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;oxepan-2-one
PubChem CID174645985
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;oxepan-2-one
SMILESO=C1CCCCCO1.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C6H10O2/c7-1-3-9-5-6-10-4-2-8;7-6-4-2-1-3-5-8-6/h7-8H,1-6H2;1-5H2
InChIKeyHYFUTKMRMROCDY-UHFFFAOYSA-N
XLogP0.11
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane-1,2-diol;ethene;oxepan-2-one
CID 68538083
2-(2-hydroxyethoxy)ethanol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene;oxepan-2-one
CID 6452430
1,6-dioxacyclotridecane-7,13-dione
CID 70450916
1,11-dioxacycloicosane-2,12-dione
CID 15642894
oxepan-2-one;1-undecoxyundecane
CID 174792419
2-hydroxyacetic acid;oxepan-2-one
CID 118290388
2-hydroxyethyl 2-methylprop-2-enoate;methane;oxepan-2-one
CID 158521926
oxepan-2-one;silyloxysilane
CID 173274127
ethane-1,2-diol;ethene;oxolan-2-one
CID 67568784
1,8,17-trioxacyclopentacosane-2,7-dione
CID 150130718
formonitrile;oxepan-2-one
CID 174857419
butanedioic acid;oxepan-2-one
CID 70165852

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;oxepan-2-one?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;oxepan-2-one (CID 174645985) is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;oxepan-2-one.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;oxepan-2-one?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;oxepan-2-one is O=C1CCCCCO1.OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;oxepan-2-one?
The InChIKey is HYFUTKMRMROCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4.C6H10O2/c7-1-3-9-5-6-10-4-2-8;7-6-4-2-1-3-5-8-6/h7-8H,1-6H2;1-5H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;oxepan-2-one?
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;oxepan-2-one has a molecular weight of 264.32 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;oxepan-2-one is sourced from PubChem (CID 174645985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).