2,2-dimethyl-1,4,7,10-tetraoxacyclododecane

C10H20O4 — CID 12597933

IUPAC2,2-dimethyl-1,4,7,10-tetraoxacyclododecane
SMILESCC1(C)COCCOCCOCCO1
InChIInChI=1S/C10H20O4/c1-10(2)9-13-6-5-11-3-4-12-7-8-14-10/h3-9H2,1-2H3
InChIKeyQKGREUBKUYOBTR-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.85
Rot. Bonds

About 2,2-dimethyl-1,4,7,10-tetraoxacyclododecane

2,2-dimethyl-1,4,7,10-tetraoxacyclododecane (PubChem CID 12597933) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,2-dimethyl-1,4,7,10-tetraoxacyclododecane.

Molecular Properties

Compound Name2,2-dimethyl-1,4,7,10-tetraoxacyclododecane
PubChem CID12597933
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2,2-dimethyl-1,4,7,10-tetraoxacyclododecane
SMILESCC1(C)COCCOCCOCCO1
InChIInChI=1S/C10H20O4/c1-10(2)9-13-6-5-11-3-4-12-7-8-14-10/h3-9H2,1-2H3
InChIKeyQKGREUBKUYOBTR-UHFFFAOYSA-N
XLogP0.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,4,7,10-tetraoxacyclododecane?
The IUPAC name of 2,2-dimethyl-1,4,7,10-tetraoxacyclododecane (CID 12597933) is 2,2-dimethyl-1,4,7,10-tetraoxacyclododecane.
What is the SMILES notation for 2,2-dimethyl-1,4,7,10-tetraoxacyclododecane?
The canonical SMILES for 2,2-dimethyl-1,4,7,10-tetraoxacyclododecane is CC1(C)COCCOCCOCCO1.
What is the InChIKey of 2,2-dimethyl-1,4,7,10-tetraoxacyclododecane?
The InChIKey is QKGREUBKUYOBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-10(2)9-13-6-5-11-3-4-12-7-8-14-10/h3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,4,7,10-tetraoxacyclododecane?
2,2-dimethyl-1,4,7,10-tetraoxacyclododecane has a molecular weight of 204.27 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,4,7,10-tetraoxacyclododecane is sourced from PubChem (CID 12597933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).