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

C18H36O2 — CID 151505286

IUPAC2,2-dibutyl-5,5-dipropyl-1,4-dioxane
SMILESCCCCC1(CCCC)COC(CCC)(CCC)CO1
InChIInChI=1S/C18H36O2/c1-5-9-13-18(14-10-6-2)16-19-17(11-7-3,12-8-4)15-20-18/h5-16H2,1-4H3
InChIKeyPRHFUKCIQYZEFB-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.49
Rot. Bonds10

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

2,2-dibutyl-5,5-dipropyl-1,4-dioxane (PubChem CID 151505286) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 2,2-dibutyl-5,5-dipropyl-1,4-dioxane.

Molecular Properties

Compound Name2,2-dibutyl-5,5-dipropyl-1,4-dioxane
PubChem CID151505286
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name2,2-dibutyl-5,5-dipropyl-1,4-dioxane
SMILESCCCCC1(CCCC)COC(CCC)(CCC)CO1
InChIInChI=1S/C18H36O2/c1-5-9-13-18(14-10-6-2)16-19-17(11-7-3,12-8-4)15-20-18/h5-16H2,1-4H3
InChIKeyPRHFUKCIQYZEFB-UHFFFAOYSA-N
XLogP5.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dibutyl-5,5-diethyl-1,4-dioxane
CID 151443761
2-hexyl-2-propyloxirane
CID 139691135
2-hexadecyl-2-tetradecyloxirane
CID 71421731
3-(2-butyloxiran-2-yl)propanal
CID 85307861
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
5-butyl-2,2-dipropyl-1,4-dioxane
CID 150203019
4-butyl-4-propyltrioxane
CID 150377371
(2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane
CID 102021945
(E)-5-(2-butyloxiran-2-yl)-N,N-dimethylpent-2-enamide
CID 102421346

Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-5,5-dipropyl-1,4-dioxane?
The IUPAC name of 2,2-dibutyl-5,5-dipropyl-1,4-dioxane (CID 151505286) is 2,2-dibutyl-5,5-dipropyl-1,4-dioxane.
What is the SMILES notation for 2,2-dibutyl-5,5-dipropyl-1,4-dioxane?
The canonical SMILES for 2,2-dibutyl-5,5-dipropyl-1,4-dioxane is CCCCC1(CCCC)COC(CCC)(CCC)CO1.
What is the InChIKey of 2,2-dibutyl-5,5-dipropyl-1,4-dioxane?
The InChIKey is PRHFUKCIQYZEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-5-9-13-18(14-10-6-2)16-19-17(11-7-3,12-8-4)15-20-18/h5-16H2,1-4H3.
What are the key properties of 2,2-dibutyl-5,5-dipropyl-1,4-dioxane?
2,2-dibutyl-5,5-dipropyl-1,4-dioxane has a molecular weight of 284.48 g/mol, XLogP of 5.49, 10 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-dipropyl-1,4-dioxane is sourced from PubChem (CID 151505286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).