2,2-dibutyl-5,5-diethyl-1,4-dioxane

C16H32O2 — CID 151443761

IUPAC2,2-dibutyl-5,5-diethyl-1,4-dioxane
SMILESCCCCC1(CCCC)COC(CC)(CC)CO1
InChIInChI=1S/C16H32O2/c1-5-9-11-16(12-10-6-2)14-17-15(7-3,8-4)13-18-16/h5-14H2,1-4H3
InChIKeyPFBHYXIXMAYXAB-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.71
Rot. Bonds8

About 2,2-dibutyl-5,5-diethyl-1,4-dioxane

2,2-dibutyl-5,5-diethyl-1,4-dioxane (PubChem CID 151443761) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2,2-dibutyl-5,5-diethyl-1,4-dioxane.

Molecular Properties

Compound Name2,2-dibutyl-5,5-diethyl-1,4-dioxane
PubChem CID151443761
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2,2-dibutyl-5,5-diethyl-1,4-dioxane
SMILESCCCCC1(CCCC)COC(CC)(CC)CO1
InChIInChI=1S/C16H32O2/c1-5-9-11-16(12-10-6-2)14-17-15(7-3,8-4)13-18-16/h5-14H2,1-4H3
InChIKeyPFBHYXIXMAYXAB-UHFFFAOYSA-N
XLogP4.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dibutyl-5,5-diethyl-1,4-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

2,2-dibutyl-5,5-dipropyl-1,4-dioxane
CID 151505286
2-hexadecyl-2-tetradecyloxirane
CID 71421731
2-hexyl-2-propyloxirane
CID 139691135
3-(2-butyloxiran-2-yl)propanal
CID 85307861
2-butyl-2-ethyloxolane;methane
CID 159867268
4-(2-butyloxiran-2-yl)-2-methylidenebutanoic acid
CID 88548094
[(2S)-2-tetradecyloxiran-2-yl]methanol
CID 11032940
[(2S)-2-octyloxiran-2-yl]methanol
CID 11041465
2-(chloromethyl)-2-heptyloxirane
CID 86123992
2-butyl-2-ethylmorpholin-4-ium chloride
CID 171634137
2-ethyl-2-(pentoxymethyl)oxirane
CID 175272584
(2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane
CID 102021945

Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-5,5-diethyl-1,4-dioxane?
The IUPAC name of 2,2-dibutyl-5,5-diethyl-1,4-dioxane (CID 151443761) is 2,2-dibutyl-5,5-diethyl-1,4-dioxane.
What is the SMILES notation for 2,2-dibutyl-5,5-diethyl-1,4-dioxane?
The canonical SMILES for 2,2-dibutyl-5,5-diethyl-1,4-dioxane is CCCCC1(CCCC)COC(CC)(CC)CO1.
What is the InChIKey of 2,2-dibutyl-5,5-diethyl-1,4-dioxane?
The InChIKey is PFBHYXIXMAYXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-5-9-11-16(12-10-6-2)14-17-15(7-3,8-4)13-18-16/h5-14H2,1-4H3.
What are the key properties of 2,2-dibutyl-5,5-diethyl-1,4-dioxane?
2,2-dibutyl-5,5-diethyl-1,4-dioxane has a molecular weight of 256.43 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-5,5-diethyl-1,4-dioxane is sourced from PubChem (CID 151443761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).