2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate

C21H32O9 — CID 138059610

IUPAC2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCC(C)OCC(COC(C)COC(=O)C=C)OC(C)COC(=O)C=C
InChIInChI=1S/C21H32O9/c1-7-19(22)27-10-15(4)25-13-18(30-17(6)12-29-21(24)9-3)14-26-16(5)11-28-20(23)8-2/h7-9,15-18H,1-3,10-14H2,4-6H3
InChIKeyWXEBMVUWJKWAGK-UHFFFAOYSA-N
MW428.48 g/mol
LogP1.76
Rot. Bonds17

About 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate

2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate (PubChem CID 138059610) has the molecular formula C21H32O9 and a molecular weight of 428.48 g/mol. Its IUPAC name is 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate.

Molecular Properties

Compound Name2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate
PubChem CID138059610
Molecular FormulaC21H32O9
Molecular Weight428.48 g/mol
Exact Mass428.20
IUPAC Name2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCC(C)OCC(COC(C)COC(=O)C=C)OC(C)COC(=O)C=C
InChIInChI=1S/C21H32O9/c1-7-19(22)27-10-15(4)25-13-18(30-17(6)12-29-21(24)9-3)14-26-16(5)11-28-20(23)8-2/h7-9,15-18H,1-3,10-14H2,4-6H3
InChIKeyWXEBMVUWJKWAGK-UHFFFAOYSA-N
XLogP1.76
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 121420632
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propyl prop-2-enoate
CID 21458421
2-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate
CID 146608012
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
2-[2-[2-[1-(1-buta-1,3-dien-2-yloxypropan-2-yloxy)propan-2-yloxymethyl]-2-[1-(1-prop-2-enoyloxypropan-2-yloxy)propan-2-yloxymethyl]butoxy]propoxy]propyl prop-2-enoate
CID 89311902
1-O-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yl] 2-O-[1-(1-prop-2-enoyloxypropan-2-yloxy)propan-2-yl] oxalate
CID 146180705
2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate
CID 135130322
2-prop-2-enylperoxypropyl prop-2-enoate
CID 89014347
2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl butanoate;1-[2-[2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]propoxy]propyl]piperazin-1-yl]propoxy]propoxy]propoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;methane
CID 157169086
2-[2-[2-(2-prop-2-enoyloxyethoxy)propoxy]propoxy]ethyl prop-2-enoate
CID 154586565
2-(1-hydroxyethoxy)butyl prop-2-enoate
CID 142300979

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate?
The IUPAC name of 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate (CID 138059610) is 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate.
What is the SMILES notation for 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate?
The canonical SMILES for 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate is C=CC(=O)OCC(C)OCC(COC(C)COC(=O)C=C)OC(C)COC(=O)C=C.
What is the InChIKey of 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate?
The InChIKey is WXEBMVUWJKWAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O9/c1-7-19(22)27-10-15(4)25-13-18(30-17(6)12-29-21(24)9-3)14-26-16(5)11-28-20(23)8-2/h7-9,15-18H,1-3,10-14H2,4-6H3.
What are the key properties of 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate?
2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate has a molecular weight of 428.48 g/mol, XLogP of 1.76, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate is sourced from PubChem (CID 138059610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).