2-methylbutan-2-ol;3-methylbutan-1-ol

C10H24O2 — CID 159050772

IUPAC2-methylbutan-2-ol;3-methylbutan-1-ol
SMILESCC(C)CCO.CCC(C)(C)O
InChIInChI=1S/2C5H12O/c1-5(2)3-4-6;1-4-5(2,3)6/h5-6H,3-4H2,1-2H3;6H,4H2,1-3H3
InChIKeyJXFVFXCHFQOHGS-UHFFFAOYSA-N
MW176.30 g/mol
LogP2.19
Rot. Bonds3

About 2-methylbutan-2-ol;3-methylbutan-1-ol

2-methylbutan-2-ol;3-methylbutan-1-ol (PubChem CID 159050772) has the molecular formula C10H24O2 and a molecular weight of 176.30 g/mol. Its IUPAC name is 2-methylbutan-2-ol;3-methylbutan-1-ol.

Molecular Properties

Compound Name2-methylbutan-2-ol;3-methylbutan-1-ol
PubChem CID159050772
Molecular FormulaC10H24O2
Molecular Weight176.30 g/mol
Exact Mass176.18
IUPAC Name2-methylbutan-2-ol;3-methylbutan-1-ol
SMILESCC(C)CCO.CCC(C)(C)O
InChIInChI=1S/2C5H12O/c1-5(2)3-4-6;1-4-5(2,3)6/h5-6H,3-4H2,1-2H3;6H,4H2,1-3H3
InChIKeyJXFVFXCHFQOHGS-UHFFFAOYSA-N
XLogP2.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-methylbutan-1-ol;propane
CID 163391548
calcium;hydride;3-methylbutan-1-ol
CID 174734037
sodium;hydride;3-methylbutan-1-ol
CID 173128134
sodium;hydride;bis(2-methylbutan-2-ol)
CID 174951100
chloroform;3-methylbutan-1-ol
CID 173101838
2-methylbutan-2-ol;3-methylbutan-2-ol
CID 87324664
2-methylbutan-2-ol;pentan-2-ol
CID 157230462
acetonitrile;3-methylbutan-1-ol;hydrate
CID 87881666
bis(3-methylbutan-1-ol);sulfuric acid
CID 71441144
chloro hypochlorite;bis(3-methylbutan-1-ol);vanadium
CID 88737111
acetonitrile;3-methylbutan-1-ol
CID 161349190
azane;ethanol;hexane;3-methylbutan-1-ol;hydrate
CID 174918967

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-ol;3-methylbutan-1-ol?
The IUPAC name of 2-methylbutan-2-ol;3-methylbutan-1-ol (CID 159050772) is 2-methylbutan-2-ol;3-methylbutan-1-ol.
What is the SMILES notation for 2-methylbutan-2-ol;3-methylbutan-1-ol?
The canonical SMILES for 2-methylbutan-2-ol;3-methylbutan-1-ol is CC(C)CCO.CCC(C)(C)O.
What is the InChIKey of 2-methylbutan-2-ol;3-methylbutan-1-ol?
The InChIKey is JXFVFXCHFQOHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12O/c1-5(2)3-4-6;1-4-5(2,3)6/h5-6H,3-4H2,1-2H3;6H,4H2,1-3H3.
What are the key properties of 2-methylbutan-2-ol;3-methylbutan-1-ol?
2-methylbutan-2-ol;3-methylbutan-1-ol has a molecular weight of 176.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-ol;3-methylbutan-1-ol is sourced from PubChem (CID 159050772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).