2-(2,3-dimethylbutyl)-1,4-dioxane

C10H20O2 — CID 178009614

IUPAC2-(2,3-dimethylbutyl)-1,4-dioxane
SMILESCC(C)C(C)CC1COCCO1
InChIInChI=1S/C10H20O2/c1-8(2)9(3)6-10-7-11-4-5-12-10/h8-10H,4-7H2,1-3H3
InChIKeyDLWVTEOPSHTRDN-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.08
Rot. Bonds3

About 2-(2,3-dimethylbutyl)-1,4-dioxane

2-(2,3-dimethylbutyl)-1,4-dioxane (PubChem CID 178009614) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(2,3-dimethylbutyl)-1,4-dioxane.

Molecular Properties

Compound Name2-(2,3-dimethylbutyl)-1,4-dioxane
PubChem CID178009614
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(2,3-dimethylbutyl)-1,4-dioxane
SMILESCC(C)C(C)CC1COCCO1
InChIInChI=1S/C10H20O2/c1-8(2)9(3)6-10-7-11-4-5-12-10/h8-10H,4-7H2,1-3H3
InChIKeyDLWVTEOPSHTRDN-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutyl)-1,4-dioxane?
The IUPAC name of 2-(2,3-dimethylbutyl)-1,4-dioxane (CID 178009614) is 2-(2,3-dimethylbutyl)-1,4-dioxane.
What is the SMILES notation for 2-(2,3-dimethylbutyl)-1,4-dioxane?
The canonical SMILES for 2-(2,3-dimethylbutyl)-1,4-dioxane is CC(C)C(C)CC1COCCO1.
What is the InChIKey of 2-(2,3-dimethylbutyl)-1,4-dioxane?
The InChIKey is DLWVTEOPSHTRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)9(3)6-10-7-11-4-5-12-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(2,3-dimethylbutyl)-1,4-dioxane?
2-(2,3-dimethylbutyl)-1,4-dioxane has a molecular weight of 172.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutyl)-1,4-dioxane is sourced from PubChem (CID 178009614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).