1-(1-hydroxypropan-2-yloxy)-3-methylbutan-2-ol

C8H18O3 — CID 86648893

IUPAC1-(1-hydroxypropan-2-yloxy)-3-methylbutan-2-ol
SMILESCC(CO)OCC(O)C(C)C
InChIInChI=1S/C8H18O3/c1-6(2)8(10)5-11-7(3)4-9/h6-10H,4-5H2,1-3H3
InChIKeyUMOTVDMEGVTUQU-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.40
Rot. Bonds5

About 1-(1-hydroxypropan-2-yloxy)-3-methylbutan-2-ol

1-(1-hydroxypropan-2-yloxy)-3-methylbutan-2-ol (PubChem CID 86648893) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yloxy)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yloxy)-3-methylbutan-2-ol
PubChem CID86648893
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name1-(1-hydroxypropan-2-yloxy)-3-methylbutan-2-ol
SMILESCC(CO)OCC(O)C(C)C
InChIInChI=1S/C8H18O3/c1-6(2)8(10)5-11-7(3)4-9/h6-10H,4-5H2,1-3H3
InChIKeyUMOTVDMEGVTUQU-UHFFFAOYSA-N
XLogP0.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yloxy)-3-methylbutan-2-ol?
The IUPAC name of 1-(1-hydroxypropan-2-yloxy)-3-methylbutan-2-ol (CID 86648893) is 1-(1-hydroxypropan-2-yloxy)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(1-hydroxypropan-2-yloxy)-3-methylbutan-2-ol?
The canonical SMILES for 1-(1-hydroxypropan-2-yloxy)-3-methylbutan-2-ol is CC(CO)OCC(O)C(C)C.
What is the InChIKey of 1-(1-hydroxypropan-2-yloxy)-3-methylbutan-2-ol?
The InChIKey is UMOTVDMEGVTUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-6(2)8(10)5-11-7(3)4-9/h6-10H,4-5H2,1-3H3.
What are the key properties of 1-(1-hydroxypropan-2-yloxy)-3-methylbutan-2-ol?
1-(1-hydroxypropan-2-yloxy)-3-methylbutan-2-ol has a molecular weight of 162.23 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yloxy)-3-methylbutan-2-ol is sourced from PubChem (CID 86648893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).