(3-hydroxy-2-prop-2-enoyloxybutan-2-yl) prop-2-enoate

C10H14O5 — CID 174261354

IUPAC(3-hydroxy-2-prop-2-enoyloxybutan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC(C)(OC(=O)C=C)C(C)O
InChIInChI=1S/C10H14O5/c1-5-8(12)14-10(4,7(3)11)15-9(13)6-2/h5-7,11H,1-2H2,3-4H3
InChIKeyUCXOMTWCHGZEJE-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.54
Rot. Bonds5

About (3-hydroxy-2-prop-2-enoyloxybutan-2-yl) prop-2-enoate

(3-hydroxy-2-prop-2-enoyloxybutan-2-yl) prop-2-enoate (PubChem CID 174261354) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (3-hydroxy-2-prop-2-enoyloxybutan-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(3-hydroxy-2-prop-2-enoyloxybutan-2-yl) prop-2-enoate
PubChem CID174261354
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(3-hydroxy-2-prop-2-enoyloxybutan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC(C)(OC(=O)C=C)C(C)O
InChIInChI=1S/C10H14O5/c1-5-8(12)14-10(4,7(3)11)15-9(13)6-2/h5-7,11H,1-2H2,3-4H3
InChIKeyUCXOMTWCHGZEJE-UHFFFAOYSA-N
XLogP0.54
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(3-hydroxy-2-prop-2-enoyloxybutan-2-yl)oxycarbonylbenzoic acid
CID 174350482
tert-butyl prop-2-enoate
CID 158231977
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
tert-butyl prop-2-enoate;propane-1,2-diol
CID 158874239
2-hydroxypropan-2-yl prop-2-enoate
CID 22726323
tert-butyl prop-2-enoate;methanol
CID 174833528
(2-hydroxy-3-prop-2-enoyloxyhexan-3-yl) prop-2-enoate
CID 141398047
tert-butyl prop-2-enoate;methane;2-propan-2-ylperoxypropane
CID 174833427
potassium;tert-butyl prop-2-enoate;hydride
CID 174867410
tert-butyl prop-2-enoate;2-methylpropan-2-ol
CID 157277842
(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl) prop-2-enoate
CID 139994874
(2,3-dihydroxy-3-methylbutan-2-yl) prop-2-enoate
CID 177311125

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-prop-2-enoyloxybutan-2-yl) prop-2-enoate?
The IUPAC name of (3-hydroxy-2-prop-2-enoyloxybutan-2-yl) prop-2-enoate (CID 174261354) is (3-hydroxy-2-prop-2-enoyloxybutan-2-yl) prop-2-enoate.
What is the SMILES notation for (3-hydroxy-2-prop-2-enoyloxybutan-2-yl) prop-2-enoate?
The canonical SMILES for (3-hydroxy-2-prop-2-enoyloxybutan-2-yl) prop-2-enoate is C=CC(=O)OC(C)(OC(=O)C=C)C(C)O.
What is the InChIKey of (3-hydroxy-2-prop-2-enoyloxybutan-2-yl) prop-2-enoate?
The InChIKey is UCXOMTWCHGZEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-5-8(12)14-10(4,7(3)11)15-9(13)6-2/h5-7,11H,1-2H2,3-4H3.
What are the key properties of (3-hydroxy-2-prop-2-enoyloxybutan-2-yl) prop-2-enoate?
(3-hydroxy-2-prop-2-enoyloxybutan-2-yl) prop-2-enoate has a molecular weight of 214.22 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-prop-2-enoyloxybutan-2-yl) prop-2-enoate is sourced from PubChem (CID 174261354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).