3,3,4,4-tetrakis[(E)-prop-1-enyl]oxolane-2,5-dione

C16H20O3 — CID 6288603

IUPAC3,3,4,4-tetrakis[(E)-prop-1-enyl]oxolane-2,5-dione
SMILESC/C=C/C1(/C=C/C)C(=O)OC(=O)C1(/C=C/C)/C=C/C
InChIInChI=1S/C16H20O3/c1-5-9-15(10-6-2)13(17)19-14(18)16(15,11-7-3)12-8-4/h5-12H,1-4H3/b9-5+,10-6+,11-7+,12-8+
InChIKeyOYNOZYCJSZYBNV-HFBXSBKTSA-N
MW260.33 g/mol
LogP3.35
Rot. Bonds4

About 3,3,4,4-tetrakis[(E)-prop-1-enyl]oxolane-2,5-dione

3,3,4,4-tetrakis[(E)-prop-1-enyl]oxolane-2,5-dione (PubChem CID 6288603) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3,3,4,4-tetrakis[(E)-prop-1-enyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3,3,4,4-tetrakis[(E)-prop-1-enyl]oxolane-2,5-dione
PubChem CID6288603
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name3,3,4,4-tetrakis[(E)-prop-1-enyl]oxolane-2,5-dione
SMILESC/C=C/C1(/C=C/C)C(=O)OC(=O)C1(/C=C/C)/C=C/C
InChIInChI=1S/C16H20O3/c1-5-9-15(10-6-2)13(17)19-14(18)16(15,11-7-3)12-8-4/h5-12H,1-4H3/b9-5+,10-6+,11-7+,12-8+
InChIKeyOYNOZYCJSZYBNV-HFBXSBKTSA-N
XLogP3.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione
CID 98570979
2,6-dioxaspiro[3.3]heptane-1,3,5,7-tetrone;ethanamine
CID 158946932
4-ethyl-5-methyl-1-[(E)-prop-1-enyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 143575952
(1S,5S)-1,5-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
CID 98524070
4,4-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazol-5-one
CID 22016104
3-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,3-oxazetidine-2,4-dione
CID 143407126
3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione
CID 134922179
3-ethyl-3-fluorooxetane-2,4-dione
CID 174939367
furan-2,5-dione;hexa-2,4-diene
CID 175511286
5-ethyl-5-prop-1-enyl-1,3-diazinane-2,4,6-trione
CID 141323079
3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione
CID 58760782
methyl 3-[(E)-prop-1-enyl]bicyclo[1.1.1]pentane-1-carboxylate
CID 163374181

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrakis[(E)-prop-1-enyl]oxolane-2,5-dione?
The IUPAC name of 3,3,4,4-tetrakis[(E)-prop-1-enyl]oxolane-2,5-dione (CID 6288603) is 3,3,4,4-tetrakis[(E)-prop-1-enyl]oxolane-2,5-dione.
What is the SMILES notation for 3,3,4,4-tetrakis[(E)-prop-1-enyl]oxolane-2,5-dione?
The canonical SMILES for 3,3,4,4-tetrakis[(E)-prop-1-enyl]oxolane-2,5-dione is C/C=C/C1(/C=C/C)C(=O)OC(=O)C1(/C=C/C)/C=C/C.
What is the InChIKey of 3,3,4,4-tetrakis[(E)-prop-1-enyl]oxolane-2,5-dione?
The InChIKey is OYNOZYCJSZYBNV-HFBXSBKTSA-N. The full InChI is InChI=1S/C16H20O3/c1-5-9-15(10-6-2)13(17)19-14(18)16(15,11-7-3)12-8-4/h5-12H,1-4H3/b9-5+,10-6+,11-7+,12-8+.
What are the key properties of 3,3,4,4-tetrakis[(E)-prop-1-enyl]oxolane-2,5-dione?
3,3,4,4-tetrakis[(E)-prop-1-enyl]oxolane-2,5-dione has a molecular weight of 260.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrakis[(E)-prop-1-enyl]oxolane-2,5-dione is sourced from PubChem (CID 6288603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).