2,3,4-trimethylpentane-2,3-diol

C8H18O2 — CID 23384765

IUPAC2,3,4-trimethylpentane-2,3-diol
SMILESCC(C)C(C)(O)C(C)(C)O
InChIInChI=1S/C8H18O2/c1-6(2)8(5,10)7(3,4)9/h6,9-10H,1-5H3
InChIKeyMBDRJLVHSPRDIC-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.16
Rot. Bonds2

About 2,3,4-trimethylpentane-2,3-diol

2,3,4-trimethylpentane-2,3-diol (PubChem CID 23384765) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2,3,4-trimethylpentane-2,3-diol.

Molecular Properties

Compound Name2,3,4-trimethylpentane-2,3-diol
PubChem CID23384765
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2,3,4-trimethylpentane-2,3-diol
SMILESCC(C)C(C)(O)C(C)(C)O
InChIInChI=1S/C8H18O2/c1-6(2)8(5,10)7(3,4)9/h6,9-10H,1-5H3
InChIKeyMBDRJLVHSPRDIC-UHFFFAOYSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylpentane-2,3-diol?
The IUPAC name of 2,3,4-trimethylpentane-2,3-diol (CID 23384765) is 2,3,4-trimethylpentane-2,3-diol.
What is the SMILES notation for 2,3,4-trimethylpentane-2,3-diol?
The canonical SMILES for 2,3,4-trimethylpentane-2,3-diol is CC(C)C(C)(O)C(C)(C)O.
What is the InChIKey of 2,3,4-trimethylpentane-2,3-diol?
The InChIKey is MBDRJLVHSPRDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-6(2)8(5,10)7(3,4)9/h6,9-10H,1-5H3.
What are the key properties of 2,3,4-trimethylpentane-2,3-diol?
2,3,4-trimethylpentane-2,3-diol has a molecular weight of 146.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylpentane-2,3-diol is sourced from PubChem (CID 23384765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).