2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate

C16H18O8 — CID 141152964

IUPAC2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(OC(=O)C=C)C(C)(OC(=O)C=C)OC(=O)C=C
InChIInChI=1S/C16H18O8/c1-7-11(17)21-15(5,22-12(18)8-2)16(6,23-13(19)9-3)24-14(20)10-4/h7-10H,1-4H2,5-6H3
InChIKeyPEOXOVHPULDIIJ-UHFFFAOYSA-N
MW338.31 g/mol
LogP1.34
Rot. Bonds9

About 2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate

2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate (PubChem CID 141152964) has the molecular formula C16H18O8 and a molecular weight of 338.31 g/mol. Its IUPAC name is 2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate.

Molecular Properties

Compound Name2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
PubChem CID141152964
Molecular FormulaC16H18O8
Molecular Weight338.31 g/mol
Exact Mass338.10
IUPAC Name2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(OC(=O)C=C)C(C)(OC(=O)C=C)OC(=O)C=C
InChIInChI=1S/C16H18O8/c1-7-11(17)21-15(5,22-12(18)8-2)16(6,23-13(19)9-3)24-14(20)10-4/h7-10H,1-4H2,5-6H3
InChIKeyPEOXOVHPULDIIJ-UHFFFAOYSA-N
XLogP1.34
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 51.34
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-hydroxypropan-2-yl prop-2-enoate
CID 22726323
tert-butyl prop-2-enoate;methanol
CID 174833528
potassium;tert-butyl prop-2-enoate;hydride
CID 174867410
(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl) prop-2-enoate
CID 139994874
tert-butyl prop-2-enoate;2-methylpropan-2-ol
CID 157277842
bis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate
CID 88763675
tert-butyl prop-2-enoate;cyclopentatetracontane
CID 174869509
tert-butyl prop-2-enoate;cycloicosane
CID 174934602
(2,3-dihydroxy-3-methylbutan-2-yl) prop-2-enoate
CID 177311125
tert-butyl prop-2-enoate;cyclononadecane
CID 174964635
azane;1,1-diaminoethyl prop-2-enoate;hydrochloride
CID 175516983

Frequently Asked Questions

What is the IUPAC name of 2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate?
The IUPAC name of 2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate (CID 141152964) is 2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate.
What is the SMILES notation for 2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate?
The canonical SMILES for 2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate is C=CC(=O)OC(C)(OC(=O)C=C)C(C)(OC(=O)C=C)OC(=O)C=C.
What is the InChIKey of 2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate?
The InChIKey is PEOXOVHPULDIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O8/c1-7-11(17)21-15(5,22-12(18)8-2)16(6,23-13(19)9-3)24-14(20)10-4/h7-10H,1-4H2,5-6H3.
What are the key properties of 2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate?
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate has a molecular weight of 338.31 g/mol, XLogP of 1.34, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate is sourced from PubChem (CID 141152964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).