5,5-dibutyl-1,3-dioxane

C12H24O2 — CID 139570230

IUPAC5,5-dibutyl-1,3-dioxane
SMILESCCCCC1(CCCC)COCOC1
InChIInChI=1S/C12H24O2/c1-3-5-7-12(8-6-4-2)9-13-11-14-10-12/h3-11H2,1-2H3
InChIKeyRHCHQHXWFWXQLE-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.36
Rot. Bonds6

About 5,5-dibutyl-1,3-dioxane

5,5-dibutyl-1,3-dioxane (PubChem CID 139570230) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 5,5-dibutyl-1,3-dioxane.

Molecular Properties

Compound Name5,5-dibutyl-1,3-dioxane
PubChem CID139570230
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name5,5-dibutyl-1,3-dioxane
SMILESCCCCC1(CCCC)COCOC1
InChIInChI=1S/C12H24O2/c1-3-5-7-12(8-6-4-2)9-13-11-14-10-12/h3-11H2,1-2H3
InChIKeyRHCHQHXWFWXQLE-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-butyloxetan-3-yl)hexan-1-ol
CID 68636171
2-[5-(2-hydroxyethyl)-1,3-dioxan-5-yl]ethanol
CID 126509303
3,3-dipentyloxane
CID 174267507
5-(3-propyloxetan-3-yl)pentan-1-ol
CID 68635541
4-butyl-4-ethyloxane
CID 89395620
4-(bromomethyl)-4-butyloxane
CID 66048650
5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane
CID 140802598
3-(bromomethyl)-3-nonyloxolane
CID 66050745
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
(5-ethyl-1,3-dioxan-5-yl)methyl pentanoate
CID 130343670
(3-butyloxetan-3-yl)methyl prop-2-enoate
CID 23067252
3-butyl-N,N-dimethyloxetan-3-amine
CID 167242715

Frequently Asked Questions

What is the IUPAC name of 5,5-dibutyl-1,3-dioxane?
The IUPAC name of 5,5-dibutyl-1,3-dioxane (CID 139570230) is 5,5-dibutyl-1,3-dioxane.
What is the SMILES notation for 5,5-dibutyl-1,3-dioxane?
The canonical SMILES for 5,5-dibutyl-1,3-dioxane is CCCCC1(CCCC)COCOC1.
What is the InChIKey of 5,5-dibutyl-1,3-dioxane?
The InChIKey is RHCHQHXWFWXQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-5-7-12(8-6-4-2)9-13-11-14-10-12/h3-11H2,1-2H3.
What are the key properties of 5,5-dibutyl-1,3-dioxane?
5,5-dibutyl-1,3-dioxane has a molecular weight of 200.32 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibutyl-1,3-dioxane is sourced from PubChem (CID 139570230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).