2,2,6,6,9,9-hexamethyl-1,3-dioxacycloundecane

C15H30O2 — CID 134986699

IUPAC2,2,6,6,9,9-hexamethyl-1,3-dioxacycloundecane
SMILESCC1(C)CCOC(C)(C)OCCC(C)(C)CC1
InChIInChI=1S/C15H30O2/c1-13(2)7-8-14(3,4)10-12-17-15(5,6)16-11-9-13/h7-12H2,1-6H3
InChIKeyARQIHPNOTXUTLH-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.38
Rot. Bonds

About 2,2,6,6,9,9-hexamethyl-1,3-dioxacycloundecane

2,2,6,6,9,9-hexamethyl-1,3-dioxacycloundecane (PubChem CID 134986699) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2,2,6,6,9,9-hexamethyl-1,3-dioxacycloundecane.

Molecular Properties

Compound Name2,2,6,6,9,9-hexamethyl-1,3-dioxacycloundecane
PubChem CID134986699
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2,2,6,6,9,9-hexamethyl-1,3-dioxacycloundecane
SMILESCC1(C)CCOC(C)(C)OCCC(C)(C)CC1
InChIInChI=1S/C15H30O2/c1-13(2)7-8-14(3,4)10-12-17-15(5,6)16-11-9-13/h7-12H2,1-6H3
InChIKeyARQIHPNOTXUTLH-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6,9,9-hexamethyl-1,3-dioxacycloundecane?
The IUPAC name of 2,2,6,6,9,9-hexamethyl-1,3-dioxacycloundecane (CID 134986699) is 2,2,6,6,9,9-hexamethyl-1,3-dioxacycloundecane.
What is the SMILES notation for 2,2,6,6,9,9-hexamethyl-1,3-dioxacycloundecane?
The canonical SMILES for 2,2,6,6,9,9-hexamethyl-1,3-dioxacycloundecane is CC1(C)CCOC(C)(C)OCCC(C)(C)CC1.
What is the InChIKey of 2,2,6,6,9,9-hexamethyl-1,3-dioxacycloundecane?
The InChIKey is ARQIHPNOTXUTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-13(2)7-8-14(3,4)10-12-17-15(5,6)16-11-9-13/h7-12H2,1-6H3.
What are the key properties of 2,2,6,6,9,9-hexamethyl-1,3-dioxacycloundecane?
2,2,6,6,9,9-hexamethyl-1,3-dioxacycloundecane has a molecular weight of 242.40 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6,9,9-hexamethyl-1,3-dioxacycloundecane is sourced from PubChem (CID 134986699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).