(3R,4R)-3,4-dimethylhexane-3,4-diol

C8H18O2 — CID 12576385

IUPAC(3R,4R)-3,4-dimethylhexane-3,4-diol
SMILESCC[C@@](C)(O)[C@](C)(O)CC
InChIInChI=1S/C8H18O2/c1-5-7(3,9)8(4,10)6-2/h9-10H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyRJOVKNVJGPMWDT-HTQZYQBOSA-N
MW146.23 g/mol
LogP1.31
Rot. Bonds3

About (3R,4R)-3,4-dimethylhexane-3,4-diol

(3R,4R)-3,4-dimethylhexane-3,4-diol (PubChem CID 12576385) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is (3R,4R)-3,4-dimethylhexane-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-3,4-dimethylhexane-3,4-diol
PubChem CID12576385
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name(3R,4R)-3,4-dimethylhexane-3,4-diol
SMILESCC[C@@](C)(O)[C@](C)(O)CC
InChIInChI=1S/C8H18O2/c1-5-7(3,9)8(4,10)6-2/h9-10H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyRJOVKNVJGPMWDT-HTQZYQBOSA-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 (3R,4R)-3,4-dimethylhexane-3,4-diol?
The IUPAC name of (3R,4R)-3,4-dimethylhexane-3,4-diol (CID 12576385) is (3R,4R)-3,4-dimethylhexane-3,4-diol.
What is the SMILES notation for (3R,4R)-3,4-dimethylhexane-3,4-diol?
The canonical SMILES for (3R,4R)-3,4-dimethylhexane-3,4-diol is CC[C@@](C)(O)[C@](C)(O)CC.
What is the InChIKey of (3R,4R)-3,4-dimethylhexane-3,4-diol?
The InChIKey is RJOVKNVJGPMWDT-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H18O2/c1-5-7(3,9)8(4,10)6-2/h9-10H,5-6H2,1-4H3/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-3,4-dimethylhexane-3,4-diol?
(3R,4R)-3,4-dimethylhexane-3,4-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 (3R,4R)-3,4-dimethylhexane-3,4-diol is sourced from PubChem (CID 12576385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).