2,4,6-trimethylnonane-1,3,5,8-tetrol

C12H26O4 — CID 121009985

IUPAC2,4,6-trimethylnonane-1,3,5,8-tetrol
SMILESCC(O)CC(C)C(O)C(C)C(O)C(C)CO
InChIInChI=1S/C12H26O4/c1-7(5-9(3)14)11(15)10(4)12(16)8(2)6-13/h7-16H,5-6H2,1-4H3
InChIKeyIFRJHQJODQXIAU-UHFFFAOYSA-N
MW234.34 g/mol
LogP0.38
Rot. Bonds7

About 2,4,6-trimethylnonane-1,3,5,8-tetrol

2,4,6-trimethylnonane-1,3,5,8-tetrol (PubChem CID 121009985) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,4,6-trimethylnonane-1,3,5,8-tetrol.

Molecular Properties

Compound Name2,4,6-trimethylnonane-1,3,5,8-tetrol
PubChem CID121009985
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name2,4,6-trimethylnonane-1,3,5,8-tetrol
SMILESCC(O)CC(C)C(O)C(C)C(O)C(C)CO
InChIInChI=1S/C12H26O4/c1-7(5-9(3)14)11(15)10(4)12(16)8(2)6-13/h7-16H,5-6H2,1-4H3
InChIKeyIFRJHQJODQXIAU-UHFFFAOYSA-N
XLogP0.38
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylnonane-1,3,5,8-tetrol?
The IUPAC name of 2,4,6-trimethylnonane-1,3,5,8-tetrol (CID 121009985) is 2,4,6-trimethylnonane-1,3,5,8-tetrol.
What is the SMILES notation for 2,4,6-trimethylnonane-1,3,5,8-tetrol?
The canonical SMILES for 2,4,6-trimethylnonane-1,3,5,8-tetrol is CC(O)CC(C)C(O)C(C)C(O)C(C)CO.
What is the InChIKey of 2,4,6-trimethylnonane-1,3,5,8-tetrol?
The InChIKey is IFRJHQJODQXIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-7(5-9(3)14)11(15)10(4)12(16)8(2)6-13/h7-16H,5-6H2,1-4H3.
What are the key properties of 2,4,6-trimethylnonane-1,3,5,8-tetrol?
2,4,6-trimethylnonane-1,3,5,8-tetrol has a molecular weight of 234.34 g/mol, XLogP of 0.38, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylnonane-1,3,5,8-tetrol is sourced from PubChem (CID 121009985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).