2-hexan-3-yl-1,4-dioxane

C10H20O2 — CID 174622092

IUPAC2-hexan-3-yl-1,4-dioxane
SMILESCCCC(CC)C1COCCO1
InChIInChI=1S/C10H20O2/c1-3-5-9(4-2)10-8-11-6-7-12-10/h9-10H,3-8H2,1-2H3
InChIKeyGJXVVWAEDFOPHD-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds4

About 2-hexan-3-yl-1,4-dioxane

2-hexan-3-yl-1,4-dioxane (PubChem CID 174622092) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-hexan-3-yl-1,4-dioxane.

Molecular Properties

Compound Name2-hexan-3-yl-1,4-dioxane
PubChem CID174622092
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-hexan-3-yl-1,4-dioxane
SMILESCCCC(CC)C1COCCO1
InChIInChI=1S/C10H20O2/c1-3-5-9(4-2)10-8-11-6-7-12-10/h9-10H,3-8H2,1-2H3
InChIKeyGJXVVWAEDFOPHD-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hexan-3-yl-1,4-dioxane?
The IUPAC name of 2-hexan-3-yl-1,4-dioxane (CID 174622092) is 2-hexan-3-yl-1,4-dioxane.
What is the SMILES notation for 2-hexan-3-yl-1,4-dioxane?
The canonical SMILES for 2-hexan-3-yl-1,4-dioxane is CCCC(CC)C1COCCO1.
What is the InChIKey of 2-hexan-3-yl-1,4-dioxane?
The InChIKey is GJXVVWAEDFOPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-9(4-2)10-8-11-6-7-12-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-hexan-3-yl-1,4-dioxane?
2-hexan-3-yl-1,4-dioxane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-3-yl-1,4-dioxane is sourced from PubChem (CID 174622092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).