2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-1-ene

C10H22O5 — CID 159073140

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-1-ene
SMILESC=CC.COC(O)COCCOCCO
InChIInChI=1S/C7H16O5.C3H6/c1-10-7(9)6-12-5-4-11-3-2-8;1-3-2/h7-9H,2-6H2,1H3;3H,1H2,2H3
InChIKeyJZXLTFNOCROAER-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.17
Rot. Bonds8

About 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-1-ene

2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-1-ene (PubChem CID 159073140) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-1-ene.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-1-ene
PubChem CID159073140
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-1-ene
SMILESC=CC.COC(O)COCCOCCO
InChIInChI=1S/C7H16O5.C3H6/c1-10-7(9)6-12-5-4-11-3-2-8;1-3-2/h7-9H,2-6H2,1H3;3H,1H2,2H3
InChIKeyJZXLTFNOCROAER-UHFFFAOYSA-N
XLogP0.17
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-Prop-2-enoxyethoxy)ethoxy]ethanol
CID 19419396
2-[2-(2-Hydroxyethoxy)ethoxy]ethanol;bis(prop-1-ene)
CID 20339838
Ethenoxyethene;2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol
CID 21743831
Ethenoxyethene;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol
CID 21743834
Ethenoxyethene;2-(2-hydroxyethoxy)-1-methoxyethanol
CID 23080703
2-(2-Ethoxyethoxy)-1-prop-2-enoxyethanol
CID 53658979
1-Allyloxy-2-(2'-butoxyethoxy) ethanol
CID 53707560
1-Prop-2-enoxy-2-propoxyethanol
CID 54167968
1-[2-(2-Methoxyethoxy)ethoxy]prop-2-en-1-ol
CID 57662079
2-[2-(2-Hydroxyethoxy)ethoxy]ethanol;prop-1-ene
CID 87094767
(E)-but-2-ene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87131635
Buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane
CID 87222109

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-1-ene?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-1-ene (CID 159073140) is 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-1-ene.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-1-ene?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-1-ene is C=CC.COC(O)COCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-1-ene?
The InChIKey is JZXLTFNOCROAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O5.C3H6/c1-10-7(9)6-12-5-4-11-3-2-8;1-3-2/h7-9H,2-6H2,1H3;3H,1H2,2H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-1-ene?
2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-1-ene has a molecular weight of 222.28 g/mol, XLogP of 0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-1-ene is sourced from PubChem (CID 159073140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).