4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane

C22H36O3 — CID 70507208

IUPAC4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane
SMILESCCCCCCCCCCCCOCC1COC(c2ccccc2)O1
InChIInChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-14-17-23-18-21-19-24-22(25-21)20-15-12-11-13-16-20/h11-13,15-16,21-22H,2-10,14,17-19H2,1H3
InChIKeyYNZLYIJOEMFIRH-UHFFFAOYSA-N
MW348.53 g/mol
LogP6.04
Rot. Bonds14

About 4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane

4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane (PubChem CID 70507208) has the molecular formula C22H36O3 and a molecular weight of 348.53 g/mol. Its IUPAC name is 4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane
PubChem CID70507208
Molecular FormulaC22H36O3
Molecular Weight348.53 g/mol
Exact Mass348.27
IUPAC Name4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane
SMILESCCCCCCCCCCCCOCC1COC(c2ccccc2)O1
InChIInChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-14-17-23-18-21-19-24-22(25-21)20-15-12-11-13-16-20/h11-13,15-16,21-22H,2-10,14,17-19H2,1H3
InChIKeyYNZLYIJOEMFIRH-UHFFFAOYSA-N
XLogP6.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(dodecoxymethyl)-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

(4S)-4-(hexadecoxymethyl)-2-phenyl-1,3-dioxane
CID 11475618
4-hexyl-2-phenyl-1,3-dioxolane
CID 13289082
5-decoxy-2-phenyl-1,3-dioxane
CID 15077847
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(pentoxymethyl)oxirane
CID 160890113
4-(oxiran-2-ylmethoxymethyl)-2-phenyl-1,3-dioxane
CID 163610147
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119

Frequently Asked Questions

What is the IUPAC name of 4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane?
The IUPAC name of 4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane (CID 70507208) is 4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane.
What is the SMILES notation for 4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane?
The canonical SMILES for 4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane is CCCCCCCCCCCCOCC1COC(c2ccccc2)O1.
What is the InChIKey of 4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane?
The InChIKey is YNZLYIJOEMFIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-14-17-23-18-21-19-24-22(25-21)20-15-12-11-13-16-20/h11-13,15-16,21-22H,2-10,14,17-19H2,1H3.
What are the key properties of 4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane?
4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane has a molecular weight of 348.53 g/mol, XLogP of 6.04, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 70507208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).