(5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane

C10H20O2 — CID 59124579

IUPAC(5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane
SMILESC[C@@H]1OC(C)(C)C(C)(C)O[C@H]1C
InChIInChI=1S/C10H20O2/c1-7-8(2)12-10(5,6)9(3,4)11-7/h7-8H,1-6H3/t7-,8-/m0/s1
InChIKeyZREZZSPXPRBWDW-YUMQZZPRSA-N
MW172.27 g/mol
LogP2.37
Rot. Bonds

About (5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane

(5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane (PubChem CID 59124579) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane.

Molecular Properties

Compound Name(5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane
PubChem CID59124579
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane
SMILESC[C@@H]1OC(C)(C)C(C)(C)O[C@H]1C
InChIInChI=1S/C10H20O2/c1-7-8(2)12-10(5,6)9(3,4)11-7/h7-8H,1-6H3/t7-,8-/m0/s1
InChIKeyZREZZSPXPRBWDW-YUMQZZPRSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane?
The IUPAC name of (5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane (CID 59124579) is (5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane.
What is the SMILES notation for (5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane?
The canonical SMILES for (5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane is C[C@@H]1OC(C)(C)C(C)(C)O[C@H]1C.
What is the InChIKey of (5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane?
The InChIKey is ZREZZSPXPRBWDW-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H20O2/c1-7-8(2)12-10(5,6)9(3,4)11-7/h7-8H,1-6H3/t7-,8-/m0/s1.
What are the key properties of (5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane?
(5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane has a molecular weight of 172.27 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane is sourced from PubChem (CID 59124579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).