bis(prop-1-enyl) carbonate;2-(2-hydroxyethoxy)ethanol

C11H20O6 — CID 174919373

IUPACbis(prop-1-enyl) carbonate;2-(2-hydroxyethoxy)ethanol
SMILESCC=COC(=O)OC=CC.OCCOCCO
InChIInChI=1S/C7H10O3.C4H10O3/c1-3-5-9-7(8)10-6-4-2;5-1-3-7-4-2-6/h3-6H,1-2H3;5-6H,1-4H2
InChIKeyQEMNRKGRRXUVGP-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.19
Rot. Bonds6

About bis(prop-1-enyl) carbonate;2-(2-hydroxyethoxy)ethanol

bis(prop-1-enyl) carbonate;2-(2-hydroxyethoxy)ethanol (PubChem CID 174919373) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is bis(prop-1-enyl) carbonate;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Namebis(prop-1-enyl) carbonate;2-(2-hydroxyethoxy)ethanol
PubChem CID174919373
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Namebis(prop-1-enyl) carbonate;2-(2-hydroxyethoxy)ethanol
SMILESCC=COC(=O)OC=CC.OCCOCCO
InChIInChI=1S/C7H10O3.C4H10O3/c1-3-5-9-7(8)10-6-4-2;5-1-3-7-4-2-6/h3-6H,1-2H3;5-6H,1-4H2
InChIKeyQEMNRKGRRXUVGP-UHFFFAOYSA-N
XLogP1.19
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

lithium;bis(prop-1-enyl) carbonate;hydride
CID 174406437
acetic acid;bis(prop-1-enyl) carbonate
CID 174787806
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
bis(prop-2-enyl) carbonate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 22918048
2-(2-hydroxyethoxy)ethoxycarbonyl formate
CID 57170393
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
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-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-hydroxyethoxy)ethanol;dihydrate
CID 22572092
CID 159345993
CID 159345993
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
2-[2-(2-hydroxyethoxy)ethoxy]ethyl prop-2-enyl carbonate
CID 91326710

Frequently Asked Questions

What is the IUPAC name of bis(prop-1-enyl) carbonate;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of bis(prop-1-enyl) carbonate;2-(2-hydroxyethoxy)ethanol (CID 174919373) is bis(prop-1-enyl) carbonate;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for bis(prop-1-enyl) carbonate;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for bis(prop-1-enyl) carbonate;2-(2-hydroxyethoxy)ethanol is CC=COC(=O)OC=CC.OCCOCCO.
What is the InChIKey of bis(prop-1-enyl) carbonate;2-(2-hydroxyethoxy)ethanol?
The InChIKey is QEMNRKGRRXUVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C4H10O3/c1-3-5-9-7(8)10-6-4-2;5-1-3-7-4-2-6/h3-6H,1-2H3;5-6H,1-4H2.
What are the key properties of bis(prop-1-enyl) carbonate;2-(2-hydroxyethoxy)ethanol?
bis(prop-1-enyl) carbonate;2-(2-hydroxyethoxy)ethanol has a molecular weight of 248.27 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-1-enyl) carbonate;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 174919373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).