2,3-dimethylhexane-2,4-diol;2-ethylhexane-1,3-diol

C16H36O4 — CID 175336862

IUPAC2,3-dimethylhexane-2,4-diol;2-ethylhexane-1,3-diol
SMILESCCC(O)C(C)C(C)(C)O.CCCC(O)C(CC)CO
InChIInChI=1S/2C8H18O2/c1-5-7(9)6(2)8(3,4)10;1-3-5-8(10)7(4-2)6-9/h6-7,9-10H,5H2,1-4H3;7-10H,3-6H2,1-2H3
InChIKeyXDMODDANKVUXHK-UHFFFAOYSA-N
MW292.46 g/mol
LogP2.33
Rot. Bonds8

About 2,3-dimethylhexane-2,4-diol;2-ethylhexane-1,3-diol

2,3-dimethylhexane-2,4-diol;2-ethylhexane-1,3-diol (PubChem CID 175336862) has the molecular formula C16H36O4 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2,3-dimethylhexane-2,4-diol;2-ethylhexane-1,3-diol.

Molecular Properties

Compound Name2,3-dimethylhexane-2,4-diol;2-ethylhexane-1,3-diol
PubChem CID175336862
Molecular FormulaC16H36O4
Molecular Weight292.46 g/mol
Exact Mass292.26
IUPAC Name2,3-dimethylhexane-2,4-diol;2-ethylhexane-1,3-diol
SMILESCCC(O)C(C)C(C)(C)O.CCCC(O)C(CC)CO
InChIInChI=1S/2C8H18O2/c1-5-7(9)6(2)8(3,4)10;1-3-5-8(10)7(4-2)6-9/h6-7,9-10H,5H2,1-4H3;7-10H,3-6H2,1-2H3
InChIKeyXDMODDANKVUXHK-UHFFFAOYSA-N
XLogP2.33
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylhexane-2,4-diol;2-ethylhexane-1,3-diol?
The IUPAC name of 2,3-dimethylhexane-2,4-diol;2-ethylhexane-1,3-diol (CID 175336862) is 2,3-dimethylhexane-2,4-diol;2-ethylhexane-1,3-diol.
What is the SMILES notation for 2,3-dimethylhexane-2,4-diol;2-ethylhexane-1,3-diol?
The canonical SMILES for 2,3-dimethylhexane-2,4-diol;2-ethylhexane-1,3-diol is CCC(O)C(C)C(C)(C)O.CCCC(O)C(CC)CO.
What is the InChIKey of 2,3-dimethylhexane-2,4-diol;2-ethylhexane-1,3-diol?
The InChIKey is XDMODDANKVUXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18O2/c1-5-7(9)6(2)8(3,4)10;1-3-5-8(10)7(4-2)6-9/h6-7,9-10H,5H2,1-4H3;7-10H,3-6H2,1-2H3.
What are the key properties of 2,3-dimethylhexane-2,4-diol;2-ethylhexane-1,3-diol?
2,3-dimethylhexane-2,4-diol;2-ethylhexane-1,3-diol has a molecular weight of 292.46 g/mol, XLogP of 2.33, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylhexane-2,4-diol;2-ethylhexane-1,3-diol is sourced from PubChem (CID 175336862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).