2,3,3-tris(oxolan-2-yl)prop-2-enoic acid

C15H22O5 — CID 66885031

IUPAC2,3,3-tris(oxolan-2-yl)prop-2-enoic acid
SMILESO=C(O)C(=C(C1CCCO1)C1CCCO1)C1CCCO1
InChIInChI=1S/C15H22O5/c16-15(17)14(12-6-3-9-20-12)13(10-4-1-7-18-10)11-5-2-8-19-11/h10-12H,1-9H2,(H,16,17)
InChIKeyXXLBAEIRKMONRR-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.90
Rot. Bonds4

About 2,3,3-tris(oxolan-2-yl)prop-2-enoic acid

2,3,3-tris(oxolan-2-yl)prop-2-enoic acid (PubChem CID 66885031) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2,3,3-tris(oxolan-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name2,3,3-tris(oxolan-2-yl)prop-2-enoic acid
PubChem CID66885031
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name2,3,3-tris(oxolan-2-yl)prop-2-enoic acid
SMILESO=C(O)C(=C(C1CCCO1)C1CCCO1)C1CCCO1
InChIInChI=1S/C15H22O5/c16-15(17)14(12-6-3-9-20-12)13(10-4-1-7-18-10)11-5-2-8-19-11/h10-12H,1-9H2,(H,16,17)
InChIKeyXXLBAEIRKMONRR-UHFFFAOYSA-N
XLogP1.90
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azanium (2R)-oxolane-2-carboxylate
CID 141340270
oxolane-2-carboxylic acid;silver
CID 160678639
hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride
CID 173287990
bis(oxolane-2-carboxylate);oxolane-2-carboxylic acid;titanium(3+);chloride
CID 157205388
(2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid
CID 87727117
dichlorocobalt;oxolane-2-carboxylic acid
CID 70626660
cyclopropyl(oxolan-2-yl)methanone
CID 65331065
benzene;oxane-2-carboxamide
CID 159532576
2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid
CID 104855690
hexane;methanol;oxolane-2-carboxylic acid
CID 70354682
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone
CID 102679333

Frequently Asked Questions

What is the IUPAC name of 2,3,3-tris(oxolan-2-yl)prop-2-enoic acid?
The IUPAC name of 2,3,3-tris(oxolan-2-yl)prop-2-enoic acid (CID 66885031) is 2,3,3-tris(oxolan-2-yl)prop-2-enoic acid.
What is the SMILES notation for 2,3,3-tris(oxolan-2-yl)prop-2-enoic acid?
The canonical SMILES for 2,3,3-tris(oxolan-2-yl)prop-2-enoic acid is O=C(O)C(=C(C1CCCO1)C1CCCO1)C1CCCO1.
What is the InChIKey of 2,3,3-tris(oxolan-2-yl)prop-2-enoic acid?
The InChIKey is XXLBAEIRKMONRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c16-15(17)14(12-6-3-9-20-12)13(10-4-1-7-18-10)11-5-2-8-19-11/h10-12H,1-9H2,(H,16,17).
What are the key properties of 2,3,3-tris(oxolan-2-yl)prop-2-enoic acid?
2,3,3-tris(oxolan-2-yl)prop-2-enoic acid has a molecular weight of 282.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-tris(oxolan-2-yl)prop-2-enoic acid is sourced from PubChem (CID 66885031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).