5-methyl-2-(2-methylpropyl)-1,3-dioxane

C9H18O2 — CID 23513560

IUPAC5-methyl-2-(2-methylpropyl)-1,3-dioxane
SMILESCC(C)CC1OCC(C)CO1
InChIInChI=1S/C9H18O2/c1-7(2)4-9-10-5-8(3)6-11-9/h7-9H,4-6H2,1-3H3
InChIKeyMBEPJPZPFKXSPV-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.04
Rot. Bonds2

About 5-methyl-2-(2-methylpropyl)-1,3-dioxane

5-methyl-2-(2-methylpropyl)-1,3-dioxane (PubChem CID 23513560) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 5-methyl-2-(2-methylpropyl)-1,3-dioxane.

Molecular Properties

Compound Name5-methyl-2-(2-methylpropyl)-1,3-dioxane
PubChem CID23513560
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name5-methyl-2-(2-methylpropyl)-1,3-dioxane
SMILESCC(C)CC1OCC(C)CO1
InChIInChI=1S/C9H18O2/c1-7(2)4-9-10-5-8(3)6-11-9/h7-9H,4-6H2,1-3H3
InChIKeyMBEPJPZPFKXSPV-UHFFFAOYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylpropyl)-1,3-dioxane?
The IUPAC name of 5-methyl-2-(2-methylpropyl)-1,3-dioxane (CID 23513560) is 5-methyl-2-(2-methylpropyl)-1,3-dioxane.
What is the SMILES notation for 5-methyl-2-(2-methylpropyl)-1,3-dioxane?
The canonical SMILES for 5-methyl-2-(2-methylpropyl)-1,3-dioxane is CC(C)CC1OCC(C)CO1.
What is the InChIKey of 5-methyl-2-(2-methylpropyl)-1,3-dioxane?
The InChIKey is MBEPJPZPFKXSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(2)4-9-10-5-8(3)6-11-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 5-methyl-2-(2-methylpropyl)-1,3-dioxane?
5-methyl-2-(2-methylpropyl)-1,3-dioxane has a molecular weight of 158.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylpropyl)-1,3-dioxane is sourced from PubChem (CID 23513560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).