bis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate

C16H20O8 — CID 88763675

IUPACbis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate
SMILESC=CC(=O)OC(C)(C)OC(=O)/C=C\C(=O)OC(C)(C)OC(=O)C=C
InChIInChI=1S/C16H20O8/c1-7-11(17)21-15(3,4)23-13(19)9-10-14(20)24-16(5,6)22-12(18)8-2/h7-10H,1-2H2,3-6H3/b10-9-
InChIKeyLNBOPGMAPSQXPZ-KTKRTIGZSA-N
MW340.33 g/mol
LogP1.56
Rot. Bonds8

About bis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate

bis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate (PubChem CID 88763675) has the molecular formula C16H20O8 and a molecular weight of 340.33 g/mol. Its IUPAC name is bis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate
PubChem CID88763675
Molecular FormulaC16H20O8
Molecular Weight340.33 g/mol
Exact Mass340.12
IUPAC Namebis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate
SMILESC=CC(=O)OC(C)(C)OC(=O)/C=C\C(=O)OC(C)(C)OC(=O)C=C
InChIInChI=1S/C16H20O8/c1-7-11(17)21-15(3,4)23-13(19)9-10-14(20)24-16(5,6)22-12(18)8-2/h7-10H,1-2H2,3-6H3/b10-9-
InChIKeyLNBOPGMAPSQXPZ-KTKRTIGZSA-N
XLogP1.56
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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

tert-butyl prop-2-enoate
CID 158231977
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
2-hydroxypropan-2-yl prop-2-enoate
CID 22726323
tert-butyl prop-2-enoate;methanol
CID 174833528
4-oxo-4-(2-prop-2-enoyloxypropan-2-yloxy)butanoic acid
CID 139728665
bis(2-methylbut-3-en-2-yl) (Z)-but-2-enedioate
CID 87169100
(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl) prop-2-enoate
CID 139994874
potassium;tert-butyl prop-2-enoate;hydride
CID 174867410
tert-butyl prop-2-enoate;2-methylpropan-2-ol
CID 157277842
tert-butyl prop-2-enoate;cycloicosane
CID 174934602
tert-butyl prop-2-enoate;cyclopentatetracontane
CID 174869509
(2,3-dihydroxy-3-methylbutan-2-yl) prop-2-enoate
CID 177311125

Frequently Asked Questions

What is the IUPAC name of bis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate?
The IUPAC name of bis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate (CID 88763675) is bis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate.
What is the SMILES notation for bis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate?
The canonical SMILES for bis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate is C=CC(=O)OC(C)(C)OC(=O)/C=C\C(=O)OC(C)(C)OC(=O)C=C.
What is the InChIKey of bis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate?
The InChIKey is LNBOPGMAPSQXPZ-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H20O8/c1-7-11(17)21-15(3,4)23-13(19)9-10-14(20)24-16(5,6)22-12(18)8-2/h7-10H,1-2H2,3-6H3/b10-9-.
What are the key properties of bis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate?
bis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate has a molecular weight of 340.33 g/mol, XLogP of 1.56, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate is sourced from PubChem (CID 88763675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).