13-methyl-1,4,7,10-tetraoxacyclopentadecane

C12H24O4 — CID 89291115

IUPAC13-methyl-1,4,7,10-tetraoxacyclopentadecane
SMILESCC1CCOCCOCCOCCOCC1
InChIInChI=1S/C12H24O4/c1-12-2-4-13-6-8-15-10-11-16-9-7-14-5-3-12/h12H,2-11H2,1H3
InChIKeyQNDWSMRGOLFPQC-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.48
Rot. Bonds

About 13-methyl-1,4,7,10-tetraoxacyclopentadecane

13-methyl-1,4,7,10-tetraoxacyclopentadecane (PubChem CID 89291115) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 13-methyl-1,4,7,10-tetraoxacyclopentadecane.

Molecular Properties

Compound Name13-methyl-1,4,7,10-tetraoxacyclopentadecane
PubChem CID89291115
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name13-methyl-1,4,7,10-tetraoxacyclopentadecane
SMILESCC1CCOCCOCCOCCOCC1
InChIInChI=1S/C12H24O4/c1-12-2-4-13-6-8-15-10-11-16-9-7-14-5-3-12/h12H,2-11H2,1H3
InChIKeyQNDWSMRGOLFPQC-UHFFFAOYSA-N
XLogP1.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-1,4,7,10-tetraoxacyclopentadecane?
The IUPAC name of 13-methyl-1,4,7,10-tetraoxacyclopentadecane (CID 89291115) is 13-methyl-1,4,7,10-tetraoxacyclopentadecane.
What is the SMILES notation for 13-methyl-1,4,7,10-tetraoxacyclopentadecane?
The canonical SMILES for 13-methyl-1,4,7,10-tetraoxacyclopentadecane is CC1CCOCCOCCOCCOCC1.
What is the InChIKey of 13-methyl-1,4,7,10-tetraoxacyclopentadecane?
The InChIKey is QNDWSMRGOLFPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-12-2-4-13-6-8-15-10-11-16-9-7-14-5-3-12/h12H,2-11H2,1H3.
What are the key properties of 13-methyl-1,4,7,10-tetraoxacyclopentadecane?
13-methyl-1,4,7,10-tetraoxacyclopentadecane has a molecular weight of 232.32 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-1,4,7,10-tetraoxacyclopentadecane is sourced from PubChem (CID 89291115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).