2-[2,3-bis(ethoxycarbonyloxy)propoxy]ethyl prop-2-enoate

C14H22O9 — CID 139834404

IUPAC2-[2,3-bis(ethoxycarbonyloxy)propoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC(COC(=O)OCC)OC(=O)OCC
InChIInChI=1S/C14H22O9/c1-4-12(15)21-8-7-18-9-11(23-14(17)20-6-3)10-22-13(16)19-5-2/h4,11H,1,5-10H2,2-3H3
InChIKeyRKTHGYWBCTUMJD-UHFFFAOYSA-N
MW334.32 g/mol
LogP1.45
Rot. Bonds11

About 2-[2,3-bis(ethoxycarbonyloxy)propoxy]ethyl prop-2-enoate

2-[2,3-bis(ethoxycarbonyloxy)propoxy]ethyl prop-2-enoate (PubChem CID 139834404) has the molecular formula C14H22O9 and a molecular weight of 334.32 g/mol. Its IUPAC name is 2-[2,3-bis(ethoxycarbonyloxy)propoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2,3-bis(ethoxycarbonyloxy)propoxy]ethyl prop-2-enoate
PubChem CID139834404
Molecular FormulaC14H22O9
Molecular Weight334.32 g/mol
Exact Mass334.13
IUPAC Name2-[2,3-bis(ethoxycarbonyloxy)propoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC(COC(=O)OCC)OC(=O)OCC
InChIInChI=1S/C14H22O9/c1-4-12(15)21-8-7-18-9-11(23-14(17)20-6-3)10-22-13(16)19-5-2/h4,11H,1,5-10H2,2-3H3
InChIKeyRKTHGYWBCTUMJD-UHFFFAOYSA-N
XLogP1.45
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate
CID 163216514
2-(2-aminopropoxy)ethyl prop-2-enoate
CID 54040503
2-(2-bromopropoxy)ethyl prop-2-enoate
CID 57007921
2-(2-prop-2-enoyloxyethoxymethyl)propanedioic acid
CID 172861993
2-(2-hydroperoxypropoxy)ethyl prop-2-enoate
CID 118433563
[1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate
CID 59769507
2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 89425808
2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate
CID 174792741
2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate
CID 88684060
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
[1-ethoxycarbonyloxy-3-(methylamino)propan-2-yl] ethyl carbonate;hydrochloride
CID 86600930
2-docosoxyethyl prop-2-enoate
CID 87118947

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(ethoxycarbonyloxy)propoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2,3-bis(ethoxycarbonyloxy)propoxy]ethyl prop-2-enoate (CID 139834404) is 2-[2,3-bis(ethoxycarbonyloxy)propoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2,3-bis(ethoxycarbonyloxy)propoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2,3-bis(ethoxycarbonyloxy)propoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCC(COC(=O)OCC)OC(=O)OCC.
What is the InChIKey of 2-[2,3-bis(ethoxycarbonyloxy)propoxy]ethyl prop-2-enoate?
The InChIKey is RKTHGYWBCTUMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O9/c1-4-12(15)21-8-7-18-9-11(23-14(17)20-6-3)10-22-13(16)19-5-2/h4,11H,1,5-10H2,2-3H3.
What are the key properties of 2-[2,3-bis(ethoxycarbonyloxy)propoxy]ethyl prop-2-enoate?
2-[2,3-bis(ethoxycarbonyloxy)propoxy]ethyl prop-2-enoate has a molecular weight of 334.32 g/mol, XLogP of 1.45, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(ethoxycarbonyloxy)propoxy]ethyl prop-2-enoate is sourced from PubChem (CID 139834404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).