2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(prop-2-enoxymethyl)oxirane

C12H24O6 — CID 22561283

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(prop-2-enoxymethyl)oxirane
SMILESC=CCOCC1CO1.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C6H10O2/c7-1-3-9-5-6-10-4-2-8;1-2-3-7-4-6-5-8-6/h7-8H,1-6H2;2,6H,1,3-5H2
InChIKeyQOMLTQKBGUUJJI-UHFFFAOYSA-N
MW264.32 g/mol
LogP-0.41
Rot. Bonds11

About 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(prop-2-enoxymethyl)oxirane

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(prop-2-enoxymethyl)oxirane (PubChem CID 22561283) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(prop-2-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(prop-2-enoxymethyl)oxirane
PubChem CID22561283
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(prop-2-enoxymethyl)oxirane
SMILESC=CCOCC1CO1.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C6H10O2/c7-1-3-9-5-6-10-4-2-8;1-2-3-7-4-6-5-8-6/h7-8H,1-6H2;2,6H,1,3-5H2
InChIKeyQOMLTQKBGUUJJI-UHFFFAOYSA-N
XLogP-0.41
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Glyceryl Allyl Ether
CID 78950
2-Propanol, 1,3-bis(2-propen-1-yloxy)-
CID 86908
2(or 3)-(2-Propen-1-yloxy)-1,?-propanediol
CID 91289
2-Propanol, 1-(1-methyl-2-(2-propenyloxy)ethoxy)-
CID 41674
2-Propanol, 1-allyloxy-3-isopropoxy-
CID 112464
1-Methoxy-3-(2-propen-1-yloxy)-2-propanol
CID 119795
1-Butoxy-3-[(prop-2-en-1-yl)oxy]propan-2-ol
CID 13805865
2-(2-(2-Allyloxy-ethoxy)-ethoxy)-ethanol
CID 10511874
1-Propanol, 2,3-bis(2-propenyloxy)-
CID 110921
1-[1-Methyl-2-[1-methyl-2-(2-propen-1-yloxy)ethoxy]ethoxy]-2-propanol
CID 22253225
Ethane-1,2-diol--2-{[(prop-2-en-1-yl)oxy]methyl}oxirane (1/1)
CID 6451776
2-Methyloxirane;oxirane;propane-1,2-diol;2-(prop-2-enoxymethyl)oxirane
CID 6455865

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(prop-2-enoxymethyl)oxirane?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(prop-2-enoxymethyl)oxirane (CID 22561283) is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(prop-2-enoxymethyl)oxirane.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(prop-2-enoxymethyl)oxirane?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(prop-2-enoxymethyl)oxirane is C=CCOCC1CO1.OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(prop-2-enoxymethyl)oxirane?
The InChIKey is QOMLTQKBGUUJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4.C6H10O2/c7-1-3-9-5-6-10-4-2-8;1-2-3-7-4-6-5-8-6/h7-8H,1-6H2;2,6H,1,3-5H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(prop-2-enoxymethyl)oxirane?
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(prop-2-enoxymethyl)oxirane has a molecular weight of 264.32 g/mol, XLogP of -0.41, 11 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;2-(prop-2-enoxymethyl)oxirane is sourced from PubChem (CID 22561283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).