2-(2,2-dimethylpropyl)-1,4,7,10-tetraoxacyclododecane

C13H26O4 — CID 58195795

IUPAC2-(2,2-dimethylpropyl)-1,4,7,10-tetraoxacyclododecane
SMILESCC(C)(C)CC1COCCOCCOCCO1
InChIInChI=1S/C13H26O4/c1-13(2,3)10-12-11-16-7-6-14-4-5-15-8-9-17-12/h12H,4-11H2,1-3H3
InChIKeyMRPUSPBRHSSMOU-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.87
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-1,4,7,10-tetraoxacyclododecane

2-(2,2-dimethylpropyl)-1,4,7,10-tetraoxacyclododecane (PubChem CID 58195795) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1,4,7,10-tetraoxacyclododecane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1,4,7,10-tetraoxacyclododecane
PubChem CID58195795
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name2-(2,2-dimethylpropyl)-1,4,7,10-tetraoxacyclododecane
SMILESCC(C)(C)CC1COCCOCCOCCO1
InChIInChI=1S/C13H26O4/c1-13(2,3)10-12-11-16-7-6-14-4-5-15-8-9-17-12/h12H,4-11H2,1-3H3
InChIKeyMRPUSPBRHSSMOU-UHFFFAOYSA-N
XLogP1.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1,4,7,10-tetraoxacyclododecane?
The IUPAC name of 2-(2,2-dimethylpropyl)-1,4,7,10-tetraoxacyclododecane (CID 58195795) is 2-(2,2-dimethylpropyl)-1,4,7,10-tetraoxacyclododecane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1,4,7,10-tetraoxacyclododecane?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1,4,7,10-tetraoxacyclododecane is CC(C)(C)CC1COCCOCCOCCO1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1,4,7,10-tetraoxacyclododecane?
The InChIKey is MRPUSPBRHSSMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-13(2,3)10-12-11-16-7-6-14-4-5-15-8-9-17-12/h12H,4-11H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1,4,7,10-tetraoxacyclododecane?
2-(2,2-dimethylpropyl)-1,4,7,10-tetraoxacyclododecane has a molecular weight of 246.35 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1,4,7,10-tetraoxacyclododecane is sourced from PubChem (CID 58195795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).