4-hexyl-2-phenyl-1,3-dioxolane

C15H22O2 — CID 13289082

IUPAC4-hexyl-2-phenyl-1,3-dioxolane
SMILESCCCCCCC1COC(c2ccccc2)O1
InChIInChI=1S/C15H22O2/c1-2-3-4-8-11-14-12-16-15(17-14)13-9-6-5-7-10-13/h5-7,9-10,14-15H,2-4,8,11-12H2,1H3
InChIKeyVXKNNLXWPVFMPB-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.07
Rot. Bonds6

About 4-hexyl-2-phenyl-1,3-dioxolane

4-hexyl-2-phenyl-1,3-dioxolane (PubChem CID 13289082) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-hexyl-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name4-hexyl-2-phenyl-1,3-dioxolane
PubChem CID13289082
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-hexyl-2-phenyl-1,3-dioxolane
SMILESCCCCCCC1COC(c2ccccc2)O1
InChIInChI=1S/C15H22O2/c1-2-3-4-8-11-14-12-16-15(17-14)13-9-6-5-7-10-13/h5-7,9-10,14-15H,2-4,8,11-12H2,1H3
InChIKeyVXKNNLXWPVFMPB-UHFFFAOYSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-hexyl-2-phenyl-1,3-dioxolane 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

4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane
CID 70507208
4-(9-azidononyl)-2-phenyl-1,3-dioxolane
CID 11109920
CID 102011532
CID 102011532
aminophosphonous acid;4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol
CID 161032649
[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
5-decoxy-2-phenyl-1,3-dioxane
CID 15077847
(4S)-4-(hexadecoxymethyl)-2-phenyl-1,3-dioxane
CID 11475618
2-hexadecyloxirane;tetradecane
CID 174899291
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2-phenyl-1,3-dioxolane?
The IUPAC name of 4-hexyl-2-phenyl-1,3-dioxolane (CID 13289082) is 4-hexyl-2-phenyl-1,3-dioxolane.
What is the SMILES notation for 4-hexyl-2-phenyl-1,3-dioxolane?
The canonical SMILES for 4-hexyl-2-phenyl-1,3-dioxolane is CCCCCCC1COC(c2ccccc2)O1.
What is the InChIKey of 4-hexyl-2-phenyl-1,3-dioxolane?
The InChIKey is VXKNNLXWPVFMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-3-4-8-11-14-12-16-15(17-14)13-9-6-5-7-10-13/h5-7,9-10,14-15H,2-4,8,11-12H2,1H3.
What are the key properties of 4-hexyl-2-phenyl-1,3-dioxolane?
4-hexyl-2-phenyl-1,3-dioxolane has a molecular weight of 234.34 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 13289082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).