2,3,4-trimethylpentane-2,3,4-triol

C8H18O3 — CID 15083800

IUPAC2,3,4-trimethylpentane-2,3,4-triol
SMILESCC(C)(O)C(C)(O)C(C)(C)O
InChIInChI=1S/C8H18O3/c1-6(2,9)8(5,11)7(3,4)10/h9-11H,1-5H3
InChIKeyZTBHEZIOGARBOD-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.28
Rot. Bonds2

About 2,3,4-trimethylpentane-2,3,4-triol

2,3,4-trimethylpentane-2,3,4-triol (PubChem CID 15083800) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2,3,4-trimethylpentane-2,3,4-triol.

Molecular Properties

Compound Name2,3,4-trimethylpentane-2,3,4-triol
PubChem CID15083800
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name2,3,4-trimethylpentane-2,3,4-triol
SMILESCC(C)(O)C(C)(O)C(C)(C)O
InChIInChI=1S/C8H18O3/c1-6(2,9)8(5,11)7(3,4)10/h9-11H,1-5H3
InChIKeyZTBHEZIOGARBOD-UHFFFAOYSA-N
XLogP0.28
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylpentane-2,3,4-triol?
The IUPAC name of 2,3,4-trimethylpentane-2,3,4-triol (CID 15083800) is 2,3,4-trimethylpentane-2,3,4-triol.
What is the SMILES notation for 2,3,4-trimethylpentane-2,3,4-triol?
The canonical SMILES for 2,3,4-trimethylpentane-2,3,4-triol is CC(C)(O)C(C)(O)C(C)(C)O.
What is the InChIKey of 2,3,4-trimethylpentane-2,3,4-triol?
The InChIKey is ZTBHEZIOGARBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-6(2,9)8(5,11)7(3,4)10/h9-11H,1-5H3.
What are the key properties of 2,3,4-trimethylpentane-2,3,4-triol?
2,3,4-trimethylpentane-2,3,4-triol has a molecular weight of 162.23 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylpentane-2,3,4-triol is sourced from PubChem (CID 15083800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).