2,2-bis(2-prop-2-enoyloxyethyl)hexanedioate

C16H20O8-2 — CID 20563785

IUPAC2,2-bis(2-prop-2-enoyloxyethyl)hexanedioate
SMILESC=CC(=O)OCCC(CCCC(=O)[O-])(CCOC(=O)C=C)C(=O)[O-]
InChIInChI=1S/C16H22O8/c1-3-13(19)23-10-8-16(15(21)22,7-5-6-12(17)18)9-11-24-14(20)4-2/h3-4H,1-2,5-11H2,(H,17,18)(H,21,22)/p-2
InChIKeyLRBBAVBIBJXCRK-UHFFFAOYSA-L
MW340.33 g/mol
LogP-1.12
Rot. Bonds13

About 2,2-bis(2-prop-2-enoyloxyethyl)hexanedioate

2,2-bis(2-prop-2-enoyloxyethyl)hexanedioate (PubChem CID 20563785) has the molecular formula C16H20O8-2 and a molecular weight of 340.33 g/mol. Its IUPAC name is 2,2-bis(2-prop-2-enoyloxyethyl)hexanedioate.

Molecular Properties

Compound Name2,2-bis(2-prop-2-enoyloxyethyl)hexanedioate
PubChem CID20563785
Molecular FormulaC16H20O8-2
Molecular Weight340.33 g/mol
Exact Mass340.12
IUPAC Name2,2-bis(2-prop-2-enoyloxyethyl)hexanedioate
SMILESC=CC(=O)OCCC(CCCC(=O)[O-])(CCOC(=O)C=C)C(=O)[O-]
InChIInChI=1S/C16H22O8/c1-3-13(19)23-10-8-16(15(21)22,7-5-6-12(17)18)9-11-24-14(20)4-2/h3-4H,1-2,5-11H2,(H,17,18)(H,21,22)/p-2
InChIKeyLRBBAVBIBJXCRK-UHFFFAOYSA-L
XLogP-1.12
TPSA132.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enoyloxypropanoate;zirconium(4+)
CID 172701120
calcium;decanedioate;prop-2-enoic acid
CID 157321777
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3,3-difluorobutyl prop-2-enoate
CID 139844098
2-[dimethyl(3-prop-2-enoyloxypropyl)azaniumyl]acetate
CID 135274056
(3-methyl-3-prop-2-enoyloxybutyl) prop-2-enoate
CID 19428987
potassium 3-prop-2-enoyloxypropane-1-sulfonic acid
CID 22045911
[5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate
CID 159187319
4-O-(2-prop-2-enoyloxyethyl) 1-O-(3,3,3-trifluoropropyl) butanedioate
CID 88573928

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-prop-2-enoyloxyethyl)hexanedioate?
The IUPAC name of 2,2-bis(2-prop-2-enoyloxyethyl)hexanedioate (CID 20563785) is 2,2-bis(2-prop-2-enoyloxyethyl)hexanedioate.
What is the SMILES notation for 2,2-bis(2-prop-2-enoyloxyethyl)hexanedioate?
The canonical SMILES for 2,2-bis(2-prop-2-enoyloxyethyl)hexanedioate is C=CC(=O)OCCC(CCCC(=O)[O-])(CCOC(=O)C=C)C(=O)[O-].
What is the InChIKey of 2,2-bis(2-prop-2-enoyloxyethyl)hexanedioate?
The InChIKey is LRBBAVBIBJXCRK-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H22O8/c1-3-13(19)23-10-8-16(15(21)22,7-5-6-12(17)18)9-11-24-14(20)4-2/h3-4H,1-2,5-11H2,(H,17,18)(H,21,22)/p-2.
What are the key properties of 2,2-bis(2-prop-2-enoyloxyethyl)hexanedioate?
2,2-bis(2-prop-2-enoyloxyethyl)hexanedioate has a molecular weight of 340.33 g/mol, XLogP of -1.12, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-prop-2-enoyloxyethyl)hexanedioate is sourced from PubChem (CID 20563785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).