2-methyl-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]oxan-4-ol

C14H24O4 — CID 18964028

IUPAC2-methyl-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]oxan-4-ol
SMILESCC1CC(O)(/C=C/COC2CCCCO2)CCO1
InChIInChI=1S/C14H24O4/c1-12-11-14(15,7-10-16-12)6-4-9-18-13-5-2-3-8-17-13/h4,6,12-13,15H,2-3,5,7-11H2,1H3/b6-4+
InChIKeyAXNNGPQIHXAGCH-GQCTYLIASA-N
MW256.34 g/mol
LogP2.02
Rot. Bonds4

About 2-methyl-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]oxan-4-ol

2-methyl-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]oxan-4-ol (PubChem CID 18964028) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-methyl-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]oxan-4-ol.

Molecular Properties

Compound Name2-methyl-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]oxan-4-ol
PubChem CID18964028
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-methyl-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]oxan-4-ol
SMILESCC1CC(O)(/C=C/COC2CCCCO2)CCO1
InChIInChI=1S/C14H24O4/c1-12-11-14(15,7-10-16-12)6-4-9-18-13-5-2-3-8-17-13/h4,6,12-13,15H,2-3,5,7-11H2,1H3/b6-4+
InChIKeyAXNNGPQIHXAGCH-GQCTYLIASA-N
XLogP2.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]oxan-4-ol 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 2-methyl-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]oxan-4-ol?
The IUPAC name of 2-methyl-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]oxan-4-ol (CID 18964028) is 2-methyl-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]oxan-4-ol.
What is the SMILES notation for 2-methyl-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]oxan-4-ol?
The canonical SMILES for 2-methyl-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]oxan-4-ol is CC1CC(O)(/C=C/COC2CCCCO2)CCO1.
What is the InChIKey of 2-methyl-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]oxan-4-ol?
The InChIKey is AXNNGPQIHXAGCH-GQCTYLIASA-N. The full InChI is InChI=1S/C14H24O4/c1-12-11-14(15,7-10-16-12)6-4-9-18-13-5-2-3-8-17-13/h4,6,12-13,15H,2-3,5,7-11H2,1H3/b6-4+.
What are the key properties of 2-methyl-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]oxan-4-ol?
2-methyl-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]oxan-4-ol has a molecular weight of 256.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]oxan-4-ol is sourced from PubChem (CID 18964028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).