9,10-dimethyl-1,4,7-trioxacycloundecane

C10H20O3 — CID 20818181

IUPAC9,10-dimethyl-1,4,7-trioxacycloundecane
SMILESCC1COCCOCCOCC1C
InChIInChI=1S/C10H20O3/c1-9-7-12-5-3-11-4-6-13-8-10(9)2/h9-10H,3-8H2,1-2H3
InChIKeyBBDSRHSBLOXIMU-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.32
Rot. Bonds

About 9,10-dimethyl-1,4,7-trioxacycloundecane

9,10-dimethyl-1,4,7-trioxacycloundecane (PubChem CID 20818181) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 9,10-dimethyl-1,4,7-trioxacycloundecane.

Molecular Properties

Compound Name9,10-dimethyl-1,4,7-trioxacycloundecane
PubChem CID20818181
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name9,10-dimethyl-1,4,7-trioxacycloundecane
SMILESCC1COCCOCCOCC1C
InChIInChI=1S/C10H20O3/c1-9-7-12-5-3-11-4-6-13-8-10(9)2/h9-10H,3-8H2,1-2H3
InChIKeyBBDSRHSBLOXIMU-UHFFFAOYSA-N
XLogP1.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-1,4,7-trioxacycloundecane?
The IUPAC name of 9,10-dimethyl-1,4,7-trioxacycloundecane (CID 20818181) is 9,10-dimethyl-1,4,7-trioxacycloundecane.
What is the SMILES notation for 9,10-dimethyl-1,4,7-trioxacycloundecane?
The canonical SMILES for 9,10-dimethyl-1,4,7-trioxacycloundecane is CC1COCCOCCOCC1C.
What is the InChIKey of 9,10-dimethyl-1,4,7-trioxacycloundecane?
The InChIKey is BBDSRHSBLOXIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-9-7-12-5-3-11-4-6-13-8-10(9)2/h9-10H,3-8H2,1-2H3.
What are the key properties of 9,10-dimethyl-1,4,7-trioxacycloundecane?
9,10-dimethyl-1,4,7-trioxacycloundecane has a molecular weight of 188.27 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-1,4,7-trioxacycloundecane is sourced from PubChem (CID 20818181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).