ethane-1,2-diol;4-methylpentan-2-ol

C8H20O3 — CID 158261198

IUPACethane-1,2-diol;4-methylpentan-2-ol
SMILESCC(C)CC(C)O.OCCO
InChIInChI=1S/C6H14O.C2H6O2/c1-5(2)4-6(3)7;3-1-2-4/h5-7H,4H2,1-3H3;3-4H,1-2H2
InChIKeyGHWVFBDJOBIMDZ-UHFFFAOYSA-N
MW164.24 g/mol
LogP0.38
Rot. Bonds3

About ethane-1,2-diol;4-methylpentan-2-ol

ethane-1,2-diol;4-methylpentan-2-ol (PubChem CID 158261198) has the molecular formula C8H20O3 and a molecular weight of 164.24 g/mol. Its IUPAC name is ethane-1,2-diol;4-methylpentan-2-ol.

Molecular Properties

Compound Nameethane-1,2-diol;4-methylpentan-2-ol
PubChem CID158261198
Molecular FormulaC8H20O3
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Nameethane-1,2-diol;4-methylpentan-2-ol
SMILESCC(C)CC(C)O.OCCO
InChIInChI=1S/C6H14O.C2H6O2/c1-5(2)4-6(3)7;3-1-2-4/h5-7H,4H2,1-3H3;3-4H,1-2H2
InChIKeyGHWVFBDJOBIMDZ-UHFFFAOYSA-N
XLogP0.38
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 158071265
4-methylpentan-2-ol;zinc
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methane;(2R)-4-methylpentan-2-ol
CID 159585988
2-ethylbutan-1-ol;4-methylpentan-2-ol
CID 18702116
ethane-1,2-diol;methane;propane-1,2-diol
CID 157128213
2-methylpentan-1-ol;4-methylpentan-2-ol
CID 160710819
tris(pentane-2,4-diol);ruthenium
CID 5231187
europium;tetrakis(pentane-2,4-diol)
CID 59946569
copper bis(pentane-2,4-diol)
CID 135036707
palladium;bis(pentane-2,4-diol)
CID 58773675
iron(2+);bis(pentane-2,4-diol)
CID 161218003
(2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane
CID 158186042

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;4-methylpentan-2-ol?
The IUPAC name of ethane-1,2-diol;4-methylpentan-2-ol (CID 158261198) is ethane-1,2-diol;4-methylpentan-2-ol.
What is the SMILES notation for ethane-1,2-diol;4-methylpentan-2-ol?
The canonical SMILES for ethane-1,2-diol;4-methylpentan-2-ol is CC(C)CC(C)O.OCCO.
What is the InChIKey of ethane-1,2-diol;4-methylpentan-2-ol?
The InChIKey is GHWVFBDJOBIMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C2H6O2/c1-5(2)4-6(3)7;3-1-2-4/h5-7H,4H2,1-3H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;4-methylpentan-2-ol?
ethane-1,2-diol;4-methylpentan-2-ol has a molecular weight of 164.24 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;4-methylpentan-2-ol is sourced from PubChem (CID 158261198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).