2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione

C10H14O4 — CID 141004308

IUPAC2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione
SMILESCCCCC/C=C/C1OC(=O)C(=O)O1
InChIInChI=1S/C10H14O4/c1-2-3-4-5-6-7-8-13-9(11)10(12)14-8/h6-8H,2-5H2,1H3/b7-6+
InChIKeyJFYXNCIKSJRYFM-VOTSOKGWSA-N
MW198.22 g/mol
LogP1.55
Rot. Bonds5

About 2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione

2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione (PubChem CID 141004308) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione.

Molecular Properties

Compound Name2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione
PubChem CID141004308
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione
SMILESCCCCC/C=C/C1OC(=O)C(=O)O1
InChIInChI=1S/C10H14O4/c1-2-3-4-5-6-7-8-13-9(11)10(12)14-8/h6-8H,2-5H2,1H3/b7-6+
InChIKeyJFYXNCIKSJRYFM-VOTSOKGWSA-N
XLogP1.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-oct-1-enyloxiran-2-one
CID 90850629
3,4-bis(henicos-1-enyl)oxolane-2,5-dione
CID 139774485
3-[(Z)-tridec-1-enyl]oxetane-2,4-dione
CID 156873685
(3R,4S,5S)-4-[(E)-hept-1-enyl]-3-methyl-5-pentyloxolan-2-one
CID 11196401
(3S,4S,5S)-4-[(E)-hept-1-enyl]-3-methyl-5-pentyloxolan-2-one
CID 11437064
2-[(E)-undec-1-enyl]-1,3-dioxolane
CID 170873891
(4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one
CID 11389786
(3S,4R,5R)-3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one
CID 162927798
3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one
CID 162927797
(3S)-3-[(E)-octadec-1-enyl]oxolane-2,5-dione
CID 98045012
3-[(E)-dodec-1-enyl]oxolane-2,5-dione;3-[(E)-undec-1-enyl]oxolane-2,5-dione
CID 87423856
3-oct-1-enyloxolane-2,5-dione
CID 24442

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione?
The IUPAC name of 2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione (CID 141004308) is 2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione.
What is the SMILES notation for 2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione?
The canonical SMILES for 2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione is CCCCC/C=C/C1OC(=O)C(=O)O1.
What is the InChIKey of 2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione?
The InChIKey is JFYXNCIKSJRYFM-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H14O4/c1-2-3-4-5-6-7-8-13-9(11)10(12)14-8/h6-8H,2-5H2,1H3/b7-6+.
What are the key properties of 2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione?
2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione has a molecular weight of 198.22 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione is sourced from PubChem (CID 141004308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).