(2R,4S,5R)-5-ethyl-2-octyl-4-propyl-1,3-dioxane

C17H34O2 — CID 98570869

IUPAC(2R,4S,5R)-5-ethyl-2-octyl-4-propyl-1,3-dioxane
SMILESCCCCCCCC[C@@H]1OC[C@@H](CC)[C@H](CCC)O1
InChIInChI=1S/C17H34O2/c1-4-7-8-9-10-11-13-17-18-14-15(6-3)16(19-17)12-5-2/h15-17H,4-14H2,1-3H3/t15-,16+,17-/m1/s1
InChIKeyIUSAOJXZVJPCML-IXDOHACOSA-N
MW270.46 g/mol
LogP5.30
Rot. Bonds10

About (2R,4S,5R)-5-ethyl-2-octyl-4-propyl-1,3-dioxane

(2R,4S,5R)-5-ethyl-2-octyl-4-propyl-1,3-dioxane (PubChem CID 98570869) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is (2R,4S,5R)-5-ethyl-2-octyl-4-propyl-1,3-dioxane.

Molecular Properties

Compound Name(2R,4S,5R)-5-ethyl-2-octyl-4-propyl-1,3-dioxane
PubChem CID98570869
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name(2R,4S,5R)-5-ethyl-2-octyl-4-propyl-1,3-dioxane
SMILESCCCCCCCC[C@@H]1OC[C@@H](CC)[C@H](CCC)O1
InChIInChI=1S/C17H34O2/c1-4-7-8-9-10-11-13-17-18-14-15(6-3)16(19-17)12-5-2/h15-17H,4-14H2,1-3H3/t15-,16+,17-/m1/s1
InChIKeyIUSAOJXZVJPCML-IXDOHACOSA-N
XLogP5.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,4S,5R)-5-ethyl-2-octyl-4-propyl-1,3-dioxane 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

(2R,4S)-4-methyl-2-nonyl-1,3-dioxolane
CID 76959551
(2S,4R)-4-methyl-2-nonyl-1,3-dioxolane
CID 76959550
(2R,4R)-4-methyl-2-octyl-1,3-dioxolane
CID 76956297
(2S,4S)-2-hexyl-4-methyl-1,3-dioxolane
CID 36690472
2-pentadecyl-4-propan-2-yl-1,3-dioxolane
CID 575374
(2R)-2-octadecyloxirane
CID 98043533
2-tetratetracontyloxirane
CID 102093754
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-5-ethyl-2-octyl-4-propyl-1,3-dioxane?
The IUPAC name of (2R,4S,5R)-5-ethyl-2-octyl-4-propyl-1,3-dioxane (CID 98570869) is (2R,4S,5R)-5-ethyl-2-octyl-4-propyl-1,3-dioxane.
What is the SMILES notation for (2R,4S,5R)-5-ethyl-2-octyl-4-propyl-1,3-dioxane?
The canonical SMILES for (2R,4S,5R)-5-ethyl-2-octyl-4-propyl-1,3-dioxane is CCCCCCCC[C@@H]1OC[C@@H](CC)[C@H](CCC)O1.
What is the InChIKey of (2R,4S,5R)-5-ethyl-2-octyl-4-propyl-1,3-dioxane?
The InChIKey is IUSAOJXZVJPCML-IXDOHACOSA-N. The full InChI is InChI=1S/C17H34O2/c1-4-7-8-9-10-11-13-17-18-14-15(6-3)16(19-17)12-5-2/h15-17H,4-14H2,1-3H3/t15-,16+,17-/m1/s1.
What are the key properties of (2R,4S,5R)-5-ethyl-2-octyl-4-propyl-1,3-dioxane?
(2R,4S,5R)-5-ethyl-2-octyl-4-propyl-1,3-dioxane has a molecular weight of 270.46 g/mol, XLogP of 5.30, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-5-ethyl-2-octyl-4-propyl-1,3-dioxane is sourced from PubChem (CID 98570869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).