3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol

C9H18O4 — CID 86746415

IUPAC3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol
SMILESC=CCOC=C.OCCOCCO
InChIInChI=1S/C5H8O.C4H10O3/c1-3-5-6-4-2;5-1-3-7-4-2-6/h3-4H,1-2,5H2;5-6H,1-4H2
InChIKeyQKOVWSCLUNNPNL-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.32
Rot. Bonds7

About 3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol

3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol (PubChem CID 86746415) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol
PubChem CID86746415
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol
SMILESC=CCOC=C.OCCOCCO
InChIInChI=1S/C5H8O.C4H10O3/c1-3-5-6-4-2;5-1-3-7-4-2-6/h3-4H,1-2,5H2;5-6H,1-4H2
InChIKeyQKOVWSCLUNNPNL-UHFFFAOYSA-N
XLogP0.32
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethanol
CID 159071028
2-(2-ethenoxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159459473
2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
4-ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol
CID 88574268
2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 88726836
bis(prop-2-enyl) carbonate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 22918048
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
ethanol;1-ethenoxy-2-(2-ethenoxyethoxy)ethane
CID 174885863
1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 139860327

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of 3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol (CID 86746415) is 3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for 3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for 3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol is C=CCOC=C.OCCOCCO.
What is the InChIKey of 3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol?
The InChIKey is QKOVWSCLUNNPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C4H10O3/c1-3-5-6-4-2;5-1-3-7-4-2-6/h3-4H,1-2,5H2;5-6H,1-4H2.
What are the key properties of 3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol?
3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol has a molecular weight of 190.24 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 86746415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).