1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate

C15H20O8 — CID 141139958

IUPAC1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)OC(CC)OC(=O)CCOC(=O)C=C
InChIInChI=1S/C15H20O8/c1-4-11(16)20-9-7-13(18)22-15(6-3)23-14(19)8-10-21-12(17)5-2/h4-5,15H,1-2,6-10H2,3H3
InChIKeyOQPKKFLRCAJBKN-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.05
Rot. Bonds11

About 1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate

1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate (PubChem CID 141139958) has the molecular formula C15H20O8 and a molecular weight of 328.32 g/mol. Its IUPAC name is 1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Name1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate
PubChem CID141139958
Molecular FormulaC15H20O8
Molecular Weight328.32 g/mol
Exact Mass328.12
IUPAC Name1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)OC(CC)OC(=O)CCOC(=O)C=C
InChIInChI=1S/C15H20O8/c1-4-11(16)20-9-7-13(18)22-15(6-3)23-14(19)8-10-21-12(17)5-2/h4-5,15H,1-2,6-10H2,3H3
InChIKeyOQPKKFLRCAJBKN-UHFFFAOYSA-N
XLogP1.05
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-prop-2-enoyloxypropanoate
CID 14496496
2-[3-propanoyloxy-3-(3-prop-2-enoyloxypropanoyloxy)propanoyl]oxypropanoic acid
CID 88819588
methyl 3-prop-2-enoyloxypropanoate
CID 14496497
3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid
CID 170162415
azane;4-oxo-4-(1-prop-2-enoyloxypropoxy)but-2-enoic acid
CID 173170823
N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate
CID 146373089
3-aminopropyl 3-prop-2-enoyloxypropanoate
CID 142038573
1-prop-2-enoyloxypropyl but-2-enoate
CID 141048851
propan-2-yl prop-2-enoate;propyl prop-2-enoate
CID 19001097
propan-2-yl 4-oxo-7-prop-2-enoyloxyheptanoate
CID 58298925
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-(4-prop-2-enoyloxybutanoyloxy)ethyl 2-methylbutanoate
CID 58203094

Frequently Asked Questions

What is the IUPAC name of 1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate?
The IUPAC name of 1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate (CID 141139958) is 1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate.
What is the SMILES notation for 1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate?
The canonical SMILES for 1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate is C=CC(=O)OCCC(=O)OC(CC)OC(=O)CCOC(=O)C=C.
What is the InChIKey of 1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate?
The InChIKey is OQPKKFLRCAJBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O8/c1-4-11(16)20-9-7-13(18)22-15(6-3)23-14(19)8-10-21-12(17)5-2/h4-5,15H,1-2,6-10H2,3H3.
What are the key properties of 1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate?
1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate has a molecular weight of 328.32 g/mol, XLogP of 1.05, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate is sourced from PubChem (CID 141139958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).