2,2-bis(prop-2-enoyloxymethyl)butyl 3-prop-2-enoyloxypropanoate

C18H24O8 — CID 54444174

IUPAC2,2-bis(prop-2-enoyloxymethyl)butyl 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C18H24O8/c1-5-14(19)23-10-9-17(22)26-13-18(8-4,11-24-15(20)6-2)12-25-16(21)7-3/h5-7H,1-3,8-13H2,4H3
InChIKeyWQHRPWPLFMTHAW-UHFFFAOYSA-N
MW368.38 g/mol
LogP1.50
Rot. Bonds13

About 2,2-bis(prop-2-enoyloxymethyl)butyl 3-prop-2-enoyloxypropanoate

2,2-bis(prop-2-enoyloxymethyl)butyl 3-prop-2-enoyloxypropanoate (PubChem CID 54444174) has the molecular formula C18H24O8 and a molecular weight of 368.38 g/mol. Its IUPAC name is 2,2-bis(prop-2-enoyloxymethyl)butyl 3-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Name2,2-bis(prop-2-enoyloxymethyl)butyl 3-prop-2-enoyloxypropanoate
PubChem CID54444174
Molecular FormulaC18H24O8
Molecular Weight368.38 g/mol
Exact Mass368.15
IUPAC Name2,2-bis(prop-2-enoyloxymethyl)butyl 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C18H24O8/c1-5-14(19)23-10-9-17(22)26-13-18(8-4,11-24-15(20)6-2)12-25-16(21)7-3/h5-7H,1-3,8-13H2,4H3
InChIKeyWQHRPWPLFMTHAW-UHFFFAOYSA-N
XLogP1.50
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(prop-2-enoyloxymethyl)butyl 3-prop-2-enoyloxypropanoate?
The IUPAC name of 2,2-bis(prop-2-enoyloxymethyl)butyl 3-prop-2-enoyloxypropanoate (CID 54444174) is 2,2-bis(prop-2-enoyloxymethyl)butyl 3-prop-2-enoyloxypropanoate.
What is the SMILES notation for 2,2-bis(prop-2-enoyloxymethyl)butyl 3-prop-2-enoyloxypropanoate?
The canonical SMILES for 2,2-bis(prop-2-enoyloxymethyl)butyl 3-prop-2-enoyloxypropanoate is C=CC(=O)OCCC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C.
What is the InChIKey of 2,2-bis(prop-2-enoyloxymethyl)butyl 3-prop-2-enoyloxypropanoate?
The InChIKey is WQHRPWPLFMTHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O8/c1-5-14(19)23-10-9-17(22)26-13-18(8-4,11-24-15(20)6-2)12-25-16(21)7-3/h5-7H,1-3,8-13H2,4H3.
What are the key properties of 2,2-bis(prop-2-enoyloxymethyl)butyl 3-prop-2-enoyloxypropanoate?
2,2-bis(prop-2-enoyloxymethyl)butyl 3-prop-2-enoyloxypropanoate has a molecular weight of 368.38 g/mol, XLogP of 1.50, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enoyloxymethyl)butyl 3-prop-2-enoyloxypropanoate is sourced from PubChem (CID 54444174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).