2,2-dimethyl-4-(octadecoxymethyl)-1,3-dioxolane

C24H48O3 — CID 568294

IUPAC2,2-dimethyl-4-(octadecoxymethyl)-1,3-dioxolane
SMILESCCCCCCCCCCCCCCCCCCOCC1COC(C)(C)O1
InChIInChI=1S/C24H48O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23-22-26-24(2,3)27-23/h23H,4-22H2,1-3H3
InChIKeyPADBVTRAZHOORO-UHFFFAOYSA-N
MW384.65 g/mol
LogP7.42
Rot. Bonds19

About 2,2-dimethyl-4-(octadecoxymethyl)-1,3-dioxolane

2,2-dimethyl-4-(octadecoxymethyl)-1,3-dioxolane (PubChem CID 568294) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is 2,2-dimethyl-4-(octadecoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-(octadecoxymethyl)-1,3-dioxolane
PubChem CID568294
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Name2,2-dimethyl-4-(octadecoxymethyl)-1,3-dioxolane
SMILESCCCCCCCCCCCCCCCCCCOCC1COC(C)(C)O1
InChIInChI=1S/C24H48O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23-22-26-24(2,3)27-23/h23H,4-22H2,1-3H3
InChIKeyPADBVTRAZHOORO-UHFFFAOYSA-N
XLogP7.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-4-(octadecoxymethyl)-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

Heptanal propyleneglycol acetal
CID 20357
2-Hexyl-4,5-dimethyl-1,3-dioxolane
CID 94886
Nonanal propyleneglycol acetal
CID 95572
Octanal propyleneglycol acetal
CID 560109
Decanal propylene glycol acetal
CID 95397
2-Decyl-4-methyl-1,3-dioxolane
CID 229153
1,3-Dioxolane, 2-methyl-2-pentyl-
CID 20359
2-Nonanone propyleneglycol acetal
CID 246089
1,3-Dioxolane, 2-hexyl-2,4,5-trimethyl-
CID 21532
1,1,3-Triethoxydodecane
CID 165359316
Decane, 1,1,3-triethoxy-
CID 177843267
Tridecane, 1,1,3-triethoxy-
CID 177843268

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(octadecoxymethyl)-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-(octadecoxymethyl)-1,3-dioxolane (CID 568294) is 2,2-dimethyl-4-(octadecoxymethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-(octadecoxymethyl)-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-(octadecoxymethyl)-1,3-dioxolane is CCCCCCCCCCCCCCCCCCOCC1COC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-(octadecoxymethyl)-1,3-dioxolane?
The InChIKey is PADBVTRAZHOORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23-22-26-24(2,3)27-23/h23H,4-22H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(octadecoxymethyl)-1,3-dioxolane?
2,2-dimethyl-4-(octadecoxymethyl)-1,3-dioxolane has a molecular weight of 384.65 g/mol, XLogP of 7.42, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(octadecoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 568294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).