2,2,6,6-tetramethyl-1,3-dioxocane

C10H20O2 — CID 100919422

IUPAC2,2,6,6-tetramethyl-1,3-dioxocane
SMILESCC1(C)CCOC(C)(C)OCC1
InChIInChI=1S/C10H20O2/c1-9(2)5-7-11-10(3,4)12-8-6-9/h5-8H2,1-4H3
InChIKeyBOIUURVVZMODQY-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.58
Rot. Bonds

About 2,2,6,6-tetramethyl-1,3-dioxocane

2,2,6,6-tetramethyl-1,3-dioxocane (PubChem CID 100919422) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1,3-dioxocane.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1,3-dioxocane
PubChem CID100919422
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2,2,6,6-tetramethyl-1,3-dioxocane
SMILESCC1(C)CCOC(C)(C)OCC1
InChIInChI=1S/C10H20O2/c1-9(2)5-7-11-10(3,4)12-8-6-9/h5-8H2,1-4H3
InChIKeyBOIUURVVZMODQY-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1,3-dioxocane?
The IUPAC name of 2,2,6,6-tetramethyl-1,3-dioxocane (CID 100919422) is 2,2,6,6-tetramethyl-1,3-dioxocane.
What is the SMILES notation for 2,2,6,6-tetramethyl-1,3-dioxocane?
The canonical SMILES for 2,2,6,6-tetramethyl-1,3-dioxocane is CC1(C)CCOC(C)(C)OCC1.
What is the InChIKey of 2,2,6,6-tetramethyl-1,3-dioxocane?
The InChIKey is BOIUURVVZMODQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)5-7-11-10(3,4)12-8-6-9/h5-8H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-1,3-dioxocane?
2,2,6,6-tetramethyl-1,3-dioxocane has a molecular weight of 172.27 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1,3-dioxocane is sourced from PubChem (CID 100919422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).