3-[(E)-hex-2-enyl]oxolane-2,5-dione

C10H14O3 — CID 6437721

IUPAC3-[(E)-hex-2-enyl]oxolane-2,5-dione
SMILESCCC/C=C/CC1CC(=O)OC1=O
InChIInChI=1S/C10H14O3/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h4-5,8H,2-3,6-7H2,1H3/b5-4+
InChIKeyVWXVGDSPDMSWFP-SNAWJCMRSA-N
MW182.22 g/mol
LogP1.82
Rot. Bonds4

About 3-[(E)-hex-2-enyl]oxolane-2,5-dione

3-[(E)-hex-2-enyl]oxolane-2,5-dione (PubChem CID 6437721) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-[(E)-hex-2-enyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[(E)-hex-2-enyl]oxolane-2,5-dione
PubChem CID6437721
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3-[(E)-hex-2-enyl]oxolane-2,5-dione
SMILESCCC/C=C/CC1CC(=O)OC1=O
InChIInChI=1S/C10H14O3/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h4-5,8H,2-3,6-7H2,1H3/b5-4+
InChIKeyVWXVGDSPDMSWFP-SNAWJCMRSA-N
XLogP1.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.82
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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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-hex-2-enyl]oxolane-2,5-dione?
The IUPAC name of 3-[(E)-hex-2-enyl]oxolane-2,5-dione (CID 6437721) is 3-[(E)-hex-2-enyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[(E)-hex-2-enyl]oxolane-2,5-dione?
The canonical SMILES for 3-[(E)-hex-2-enyl]oxolane-2,5-dione is CCC/C=C/CC1CC(=O)OC1=O.
What is the InChIKey of 3-[(E)-hex-2-enyl]oxolane-2,5-dione?
The InChIKey is VWXVGDSPDMSWFP-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h4-5,8H,2-3,6-7H2,1H3/b5-4+.
What are the key properties of 3-[(E)-hex-2-enyl]oxolane-2,5-dione?
3-[(E)-hex-2-enyl]oxolane-2,5-dione has a molecular weight of 182.22 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hex-2-enyl]oxolane-2,5-dione is sourced from PubChem (CID 6437721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).