2-butyl-5-propan-2-yl-1,3-dioxane

C11H22O2 — CID 89076519

IUPAC2-butyl-5-propan-2-yl-1,3-dioxane
SMILESCCCCC1OCC(C(C)C)CO1
InChIInChI=1S/C11H22O2/c1-4-5-6-11-12-7-10(8-13-11)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyIMBTXOWABVKCIQ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.82
Rot. Bonds4

About 2-butyl-5-propan-2-yl-1,3-dioxane

2-butyl-5-propan-2-yl-1,3-dioxane (PubChem CID 89076519) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-butyl-5-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name2-butyl-5-propan-2-yl-1,3-dioxane
PubChem CID89076519
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-butyl-5-propan-2-yl-1,3-dioxane
SMILESCCCCC1OCC(C(C)C)CO1
InChIInChI=1S/C11H22O2/c1-4-5-6-11-12-7-10(8-13-11)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyIMBTXOWABVKCIQ-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dioxane, 5-methyl-2-(1-methylbutyl)-5-propyl-
CID 166523
2,4,6-Triisobutyl-1,3,5-trioxane
CID 198512
Tetrahydro-2-(2-methylpropoxy)-2H-pyran
CID 98296
1,3-Dioxane, 5-methyl-2-(2-methylpropyl)-, cis-
CID 23513560
2H-Pyran, tetrahydro-2-ethoxy-4-methyl-
CID 33152
1,3-Dioxane, 4,4-dimethyl-2-(2-methylpropyl)-
CID 12241254
2-(Propan-2-yl)-5-propyl-1,3-dioxane
CID 29627
2-Methyl-5-propyl-1,3-dioxane
CID 31464
1,3-Dioxane, 5,5-dimethyl-2,4-bis(1-methylethyl)-
CID 107113
5-Ethyl-5-(2-methoxyethyl)-2-propan-2-yl-1,3-dioxane
CID 28514
5-(Methoxymethyl)-2,5-di(propan-2-yl)-1,3-dioxane
CID 31450
5-(2-Methoxyethyl)-2-methyl-5-(propan-2-yl)-1,3-dioxane
CID 31461

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-propan-2-yl-1,3-dioxane?
The IUPAC name of 2-butyl-5-propan-2-yl-1,3-dioxane (CID 89076519) is 2-butyl-5-propan-2-yl-1,3-dioxane.
What is the SMILES notation for 2-butyl-5-propan-2-yl-1,3-dioxane?
The canonical SMILES for 2-butyl-5-propan-2-yl-1,3-dioxane is CCCCC1OCC(C(C)C)CO1.
What is the InChIKey of 2-butyl-5-propan-2-yl-1,3-dioxane?
The InChIKey is IMBTXOWABVKCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-5-6-11-12-7-10(8-13-11)9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-butyl-5-propan-2-yl-1,3-dioxane?
2-butyl-5-propan-2-yl-1,3-dioxane has a molecular weight of 186.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 89076519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).