2-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate

C21H32O9 — CID 146608012

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

About 2-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate

2-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate (PubChem CID 146608012) has the molecular formula C21H32O9 and a molecular weight of 428.48 g/mol. Its IUPAC name is 2-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate.

Molecular Properties

Compound Name2-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate
PubChem CID146608012
Molecular FormulaC21H32O9
Molecular Weight428.48 g/mol
Exact Mass428.20
IUPAC Name2-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCC(C)OCC(COCC(C)OC(=O)C=C)OCC(C)OC(=O)C=C
InChIInChI=1S/C21H32O9/c1-7-19(22)28-11-15(4)26-14-18(27-12-17(6)30-21(24)9-3)13-25-10-16(5)29-20(23)8-2/h7-9,15-18H,1-3,10-14H2,4-6H3
InChIKeyRZVCRKZMFDPKRI-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
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
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate
CID 138059610
1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 21458420
1-(1-propoxypropan-2-yloxy)propan-2-yl prop-2-enoate
CID 20554752
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propyl prop-2-enoate
CID 21458421
1-[1-[2,2-dimethyl-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 91751167
2-[1-[2-[2-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)propoxy]propoxy]propoxy]propan-2-yloxycarbonylamino]ethyl prop-2-enoate
CID 153411308
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
2-[2-[2-(2-prop-2-enoyloxyethoxy)propoxy]propoxy]ethyl prop-2-enoate
CID 154586565

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate?
The IUPAC name of 2-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate (CID 146608012) is 2-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate.
What is the SMILES notation for 2-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate?
The canonical SMILES for 2-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate is C=CC(=O)OCC(C)OCC(COCC(C)OC(=O)C=C)OCC(C)OC(=O)C=C.
What is the InChIKey of 2-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate?
The InChIKey is RZVCRKZMFDPKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O9/c1-7-19(22)28-11-15(4)26-14-18(27-12-17(6)30-21(24)9-3)13-25-10-16(5)29-20(23)8-2/h7-9,15-18H,1-3,10-14H2,4-6H3.
What are the key properties of 2-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate?
2-[2,3-bis(2-prop-2-enoyloxypropoxy)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(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate is sourced from PubChem (CID 146608012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).