2,4,6-trimethoxy-2,4,6-trimethylheptane

C13H28O3 — CID 19793688

IUPAC2,4,6-trimethoxy-2,4,6-trimethylheptane
SMILESCOC(C)(C)CC(C)(CC(C)(C)OC)OC
InChIInChI=1S/C13H28O3/c1-11(2,14-6)9-13(5,16-8)10-12(3,4)15-7/h9-10H2,1-8H3
InChIKeyAZXDYPWDENYBFT-UHFFFAOYSA-N
MW232.36 g/mol
LogP3.02
Rot. Bonds7

About 2,4,6-trimethoxy-2,4,6-trimethylheptane

2,4,6-trimethoxy-2,4,6-trimethylheptane (PubChem CID 19793688) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 2,4,6-trimethoxy-2,4,6-trimethylheptane.

Molecular Properties

Compound Name2,4,6-trimethoxy-2,4,6-trimethylheptane
PubChem CID19793688
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name2,4,6-trimethoxy-2,4,6-trimethylheptane
SMILESCOC(C)(C)CC(C)(CC(C)(C)OC)OC
InChIInChI=1S/C13H28O3/c1-11(2,14-6)9-13(5,16-8)10-12(3,4)15-7/h9-10H2,1-8H3
InChIKeyAZXDYPWDENYBFT-UHFFFAOYSA-N
XLogP3.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethoxy-2,4,6-trimethylheptane?
The IUPAC name of 2,4,6-trimethoxy-2,4,6-trimethylheptane (CID 19793688) is 2,4,6-trimethoxy-2,4,6-trimethylheptane.
What is the SMILES notation for 2,4,6-trimethoxy-2,4,6-trimethylheptane?
The canonical SMILES for 2,4,6-trimethoxy-2,4,6-trimethylheptane is COC(C)(C)CC(C)(CC(C)(C)OC)OC.
What is the InChIKey of 2,4,6-trimethoxy-2,4,6-trimethylheptane?
The InChIKey is AZXDYPWDENYBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-11(2,14-6)9-13(5,16-8)10-12(3,4)15-7/h9-10H2,1-8H3.
What are the key properties of 2,4,6-trimethoxy-2,4,6-trimethylheptane?
2,4,6-trimethoxy-2,4,6-trimethylheptane has a molecular weight of 232.36 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethoxy-2,4,6-trimethylheptane is sourced from PubChem (CID 19793688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).