2,2-diethyl-5-methyl-1,3-dioxane

C9H18O2 — CID 59269402

IUPAC2,2-diethyl-5-methyl-1,3-dioxane
SMILESCCC1(CC)OCC(C)CO1
InChIInChI=1S/C9H18O2/c1-4-9(5-2)10-6-8(3)7-11-9/h8H,4-7H2,1-3H3
InChIKeyVATBXUJCPZGBTQ-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.19
Rot. Bonds2

About 2,2-diethyl-5-methyl-1,3-dioxane

2,2-diethyl-5-methyl-1,3-dioxane (PubChem CID 59269402) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2,2-diethyl-5-methyl-1,3-dioxane.

Molecular Properties

Compound Name2,2-diethyl-5-methyl-1,3-dioxane
PubChem CID59269402
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2,2-diethyl-5-methyl-1,3-dioxane
SMILESCCC1(CC)OCC(C)CO1
InChIInChI=1S/C9H18O2/c1-4-9(5-2)10-6-8(3)7-11-9/h8H,4-7H2,1-3H3
InChIKeyVATBXUJCPZGBTQ-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5-methyl-1,3-dioxane?
The IUPAC name of 2,2-diethyl-5-methyl-1,3-dioxane (CID 59269402) is 2,2-diethyl-5-methyl-1,3-dioxane.
What is the SMILES notation for 2,2-diethyl-5-methyl-1,3-dioxane?
The canonical SMILES for 2,2-diethyl-5-methyl-1,3-dioxane is CCC1(CC)OCC(C)CO1.
What is the InChIKey of 2,2-diethyl-5-methyl-1,3-dioxane?
The InChIKey is VATBXUJCPZGBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-9(5-2)10-6-8(3)7-11-9/h8H,4-7H2,1-3H3.
What are the key properties of 2,2-diethyl-5-methyl-1,3-dioxane?
2,2-diethyl-5-methyl-1,3-dioxane has a molecular weight of 158.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-5-methyl-1,3-dioxane is sourced from PubChem (CID 59269402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).