4-[(Z)-2,7-dimethyloct-4-enyl]oxolan-2-one

C14H24O2 — CID 70828555

IUPAC4-[(Z)-2,7-dimethyloct-4-enyl]oxolan-2-one
SMILESCC(C)C/C=C\CC(C)CC1COC(=O)C1
InChIInChI=1S/C14H24O2/c1-11(2)6-4-5-7-12(3)8-13-9-14(15)16-10-13/h4-5,11-13H,6-10H2,1-3H3/b5-4-
InChIKeyHREXADKJMZXEMN-PLNGDYQASA-N
MW224.34 g/mol
LogP3.57
Rot. Bonds6

About 4-[(Z)-2,7-dimethyloct-4-enyl]oxolan-2-one

4-[(Z)-2,7-dimethyloct-4-enyl]oxolan-2-one (PubChem CID 70828555) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-[(Z)-2,7-dimethyloct-4-enyl]oxolan-2-one.

Molecular Properties

Compound Name4-[(Z)-2,7-dimethyloct-4-enyl]oxolan-2-one
PubChem CID70828555
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-[(Z)-2,7-dimethyloct-4-enyl]oxolan-2-one
SMILESCC(C)C/C=C\CC(C)CC1COC(=O)C1
InChIInChI=1S/C14H24O2/c1-11(2)6-4-5-7-12(3)8-13-9-14(15)16-10-13/h4-5,11-13H,6-10H2,1-3H3/b5-4-
InChIKeyHREXADKJMZXEMN-PLNGDYQASA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(Z)-2,7-dimethyloct-4-enyl]oxolan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2,7-dimethyloct-4-enyl]oxolan-2-one?
The IUPAC name of 4-[(Z)-2,7-dimethyloct-4-enyl]oxolan-2-one (CID 70828555) is 4-[(Z)-2,7-dimethyloct-4-enyl]oxolan-2-one.
What is the SMILES notation for 4-[(Z)-2,7-dimethyloct-4-enyl]oxolan-2-one?
The canonical SMILES for 4-[(Z)-2,7-dimethyloct-4-enyl]oxolan-2-one is CC(C)C/C=C\CC(C)CC1COC(=O)C1.
What is the InChIKey of 4-[(Z)-2,7-dimethyloct-4-enyl]oxolan-2-one?
The InChIKey is HREXADKJMZXEMN-PLNGDYQASA-N. The full InChI is InChI=1S/C14H24O2/c1-11(2)6-4-5-7-12(3)8-13-9-14(15)16-10-13/h4-5,11-13H,6-10H2,1-3H3/b5-4-.
What are the key properties of 4-[(Z)-2,7-dimethyloct-4-enyl]oxolan-2-one?
4-[(Z)-2,7-dimethyloct-4-enyl]oxolan-2-one has a molecular weight of 224.34 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2,7-dimethyloct-4-enyl]oxolan-2-one is sourced from PubChem (CID 70828555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).