2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate

C9H14O7 — CID 87661731

IUPAC2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCCOCCOC(=O)O
InChIInChI=1S/C9H14O7/c1-2-3-15-9(12)16-7-5-13-4-6-14-8(10)11/h2H,1,3-7H2,(H,10,11)
InChIKeyRHCZFANKGHOVAS-UHFFFAOYSA-N
MW234.20 g/mol
LogP1.04
Rot. Bonds8

About 2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate

2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate (PubChem CID 87661731) has the molecular formula C9H14O7 and a molecular weight of 234.20 g/mol. Its IUPAC name is 2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate.

Molecular Properties

Compound Name2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate
PubChem CID87661731
Molecular FormulaC9H14O7
Molecular Weight234.20 g/mol
Exact Mass234.07
IUPAC Name2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCCOCCOC(=O)O
InChIInChI=1S/C9H14O7/c1-2-3-15-9(12)16-7-5-13-4-6-14-8(10)11/h2H,1,3-7H2,(H,10,11)
InChIKeyRHCZFANKGHOVAS-UHFFFAOYSA-N
XLogP1.04
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate
CID 23533996
2-[2-(2-hydroxyethoxy)ethoxy]ethyl prop-2-enyl carbonate
CID 91326710
ethene;2-prop-2-enoxycarbonyloxyethyl prop-2-enyl carbonate
CID 22459483
bis(prop-2-enyl) carbonate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 22918048
CID 140777128
CID 140777128
bis(prop-2-enyl) carbonate;ethene
CID 87465968
1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate)
CID 87594792
boric acid;2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate
CID 174992121
2-prop-2-enoxycarbonyloxyethyl 2-methylprop-2-enoate
CID 88775356
bis[2-[2-(2-carboxyoxyethoxycarbonyloxy)ethoxy]ethyl]-dimethylazanium chloride
CID 158209152
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702
carbonic acid;3-(2-prop-2-enoxyethoxy)prop-1-ene
CID 88663194

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate?
The IUPAC name of 2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate (CID 87661731) is 2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate.
What is the SMILES notation for 2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate?
The canonical SMILES for 2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate is C=CCOC(=O)OCCOCCOC(=O)O.
What is the InChIKey of 2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate?
The InChIKey is RHCZFANKGHOVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O7/c1-2-3-15-9(12)16-7-5-13-4-6-14-8(10)11/h2H,1,3-7H2,(H,10,11).
What are the key properties of 2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate?
2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate has a molecular weight of 234.20 g/mol, XLogP of 1.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate is sourced from PubChem (CID 87661731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).