2,5-dimethylhexane-2,5-diol

C8H18O2 — CID 8031

IUPAC2,5-dimethylhexane-2,5-diol
SMILESCC(C)(O)CCC(C)(C)O
InChIInChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3
InChIKeyZWNMRZQYWRLGMM-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.31
Rot. Bonds3

About 2,5-dimethylhexane-2,5-diol

2,5-dimethylhexane-2,5-diol (PubChem CID 8031) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2,5-dimethylhexane-2,5-diol.

Molecular Properties

Compound Name2,5-dimethylhexane-2,5-diol
PubChem CID8031
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2,5-dimethylhexane-2,5-diol
SMILESCC(C)(O)CCC(C)(C)O
InChIInChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3
InChIKeyZWNMRZQYWRLGMM-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhexane-2,5-diol?
The IUPAC name of 2,5-dimethylhexane-2,5-diol (CID 8031) is 2,5-dimethylhexane-2,5-diol.
What is the SMILES notation for 2,5-dimethylhexane-2,5-diol?
The canonical SMILES for 2,5-dimethylhexane-2,5-diol is CC(C)(O)CCC(C)(C)O.
What is the InChIKey of 2,5-dimethylhexane-2,5-diol?
The InChIKey is ZWNMRZQYWRLGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3.
What are the key properties of 2,5-dimethylhexane-2,5-diol?
2,5-dimethylhexane-2,5-diol has a molecular weight of 146.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhexane-2,5-diol is sourced from PubChem (CID 8031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).