2,2-bis(prop-2-enoxy)ethanol

C8H14O3 — CID 12692556

IUPAC2,2-bis(prop-2-enoxy)ethanol
SMILESC=CCOC(CO)OCC=C
InChIInChI=1S/C8H14O3/c1-3-5-10-8(7-9)11-6-4-2/h3-4,8-9H,1-2,5-7H2
InChIKeyGIMORDSPQUPKLP-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.71
Rot. Bonds7

About 2,2-bis(prop-2-enoxy)ethanol

2,2-bis(prop-2-enoxy)ethanol (PubChem CID 12692556) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2,2-bis(prop-2-enoxy)ethanol.

Molecular Properties

Compound Name2,2-bis(prop-2-enoxy)ethanol
PubChem CID12692556
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2,2-bis(prop-2-enoxy)ethanol
SMILESC=CCOC(CO)OCC=C
InChIInChI=1S/C8H14O3/c1-3-5-10-8(7-9)11-6-4-2/h3-4,8-9H,1-2,5-7H2
InChIKeyGIMORDSPQUPKLP-UHFFFAOYSA-N
XLogP0.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-Tetrakis(allyloxy)ethane
CID 85528
1,3-Dioxan-5-ol, 2-ethenyl-, cis-
CID 85274
Diethylene glycol bis-allylcarbonate
CID 21880483
3-(1-((Allyloxy)-2-hydroxymethyl)ethoxy)propane-1,2-diol
CID 44153136
2-[[5-(2-Hydroxyethoxy)-2,5-dihydrofuran-2-yl]oxy]ethanol
CID 12079805
Ethane-1,2-diol;2-ethenyl-1,3-dioxolane
CID 17887327
1-[2-(2-Prop-2-enoxyethoxy)ethoxy]ethanol
CID 19419396
1-(2-Prop-2-enoxyethoxy)ethanol
CID 19419401
1-Prop-2-enoxyethane-1,2-diol
CID 22011226
2-(2-Hydroxyethoxy)ethyl prop-2-enyl carbonate
CID 22238697
1-(1-Prop-2-enoxyethoxy)ethanol
CID 22407647
1-Prop-2-enoxypropane-1,2-diol
CID 22447395

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(prop-2-enoxy)ethanol?
The IUPAC name of 2,2-bis(prop-2-enoxy)ethanol (CID 12692556) is 2,2-bis(prop-2-enoxy)ethanol.
What is the SMILES notation for 2,2-bis(prop-2-enoxy)ethanol?
The canonical SMILES for 2,2-bis(prop-2-enoxy)ethanol is C=CCOC(CO)OCC=C.
What is the InChIKey of 2,2-bis(prop-2-enoxy)ethanol?
The InChIKey is GIMORDSPQUPKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-5-10-8(7-9)11-6-4-2/h3-4,8-9H,1-2,5-7H2.
What are the key properties of 2,2-bis(prop-2-enoxy)ethanol?
2,2-bis(prop-2-enoxy)ethanol has a molecular weight of 158.20 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enoxy)ethanol is sourced from PubChem (CID 12692556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).