2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol

C10H18O5 — CID 141050689

IUPAC2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol
SMILESOCCOC=CCOCC=COCCO
InChIInChI=1S/C10H18O5/c11-3-9-14-7-1-5-13-6-2-8-15-10-4-12/h1-2,7-8,11-12H,3-6,9-10H2
InChIKeySIZGWZGBIMFKQZ-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.05
Rot. Bonds10

About 2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol

2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol (PubChem CID 141050689) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol.

Molecular Properties

Compound Name2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol
PubChem CID141050689
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol
SMILESOCCOC=CCOCC=COCCO
InChIInChI=1S/C10H18O5/c11-3-9-14-7-1-5-13-6-2-8-15-10-4-12/h1-2,7-8,11-12H,3-6,9-10H2
InChIKeySIZGWZGBIMFKQZ-UHFFFAOYSA-N
XLogP0.05
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene
CID 141057914
2-[2-(2-but-1-enoxyethoxy)ethoxy]ethanol
CID 140501157
2-(2-iodoethenoxy)ethanol
CID 175246550
2-[2-[2-[(Z)-2-[2-(2-hydroxyethoxy)ethoxy]ethenoxy]ethoxy]ethoxy]ethanol
CID 11987840
2-[(1E)-octa-1,7-dienoxy]ethanol
CID 87257060
2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol
CID 6510159
2-penta-1,3-dienoxyethanol
CID 172693400
2-[2-[2-(2-hydroxyethoxy)ethenylsulfonyl]ethenoxy]ethanol
CID 173146553
2-[(E)-pent-2-enoxy]ethanol
CID 130122499
(E)-1-[(E)-but-2-enoxy]but-2-ene;ethane-1,2-diol
CID 87839442
2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol
CID 86242770
(E)-4-(2-hydroxyethoxy)but-3-en-2-one
CID 13225454

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol?
The IUPAC name of 2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol (CID 141050689) is 2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol.
What is the SMILES notation for 2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol?
The canonical SMILES for 2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol is OCCOC=CCOCC=COCCO.
What is the InChIKey of 2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol?
The InChIKey is SIZGWZGBIMFKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c11-3-9-14-7-1-5-13-6-2-8-15-10-4-12/h1-2,7-8,11-12H,3-6,9-10H2.
What are the key properties of 2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol?
2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol has a molecular weight of 218.25 g/mol, XLogP of 0.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-hydroxyethoxy)prop-2-enoxy]prop-1-enoxy]ethanol is sourced from PubChem (CID 141050689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).