2-methylbutan-2-ol;pentan-2-one

C10H22O2 — CID 88715177

IUPAC2-methylbutan-2-ol;pentan-2-one
SMILESCCC(C)(C)O.CCCC(C)=O
InChIInChI=1S/C5H12O.C5H10O/c1-4-5(2,3)6;1-3-4-5(2)6/h6H,4H2,1-3H3;3-4H2,1-2H3
InChIKeyZVYDCJINCQGOIY-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.54
Rot. Bonds3

About 2-methylbutan-2-ol;pentan-2-one

2-methylbutan-2-ol;pentan-2-one (PubChem CID 88715177) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2-methylbutan-2-ol;pentan-2-one.

Molecular Properties

Compound Name2-methylbutan-2-ol;pentan-2-one
PubChem CID88715177
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2-methylbutan-2-ol;pentan-2-one
SMILESCCC(C)(C)O.CCCC(C)=O
InChIInChI=1S/C5H12O.C5H10O/c1-4-5(2,3)6;1-3-4-5(2)6/h6H,4H2,1-3H3;3-4H2,1-2H3
InChIKeyZVYDCJINCQGOIY-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-fluoro-3-methylpentane;pentan-2-one
CID 142363622
palladium;pentan-2-one
CID 174766041
pentan-2-one;zinc
CID 88629307
tris(butan-2-one);tris(pentan-2-one)
CID 157203121
CID 171375174
CID 171375174
CID 158726547
CID 158726547
butane-2,3-dione;pentan-2-one
CID 160941626
pentan-2-one;propanoic acid
CID 162011313
oxetane;pentan-2-one
CID 159710624
5-ethyl-5-hydroxyheptan-2-one
CID 114494669
2-methylprop-2-enoic acid;pentan-2-one
CID 159816457
6-hydroxy-6-methylnonan-2-one
CID 90772739

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-ol;pentan-2-one?
The IUPAC name of 2-methylbutan-2-ol;pentan-2-one (CID 88715177) is 2-methylbutan-2-ol;pentan-2-one.
What is the SMILES notation for 2-methylbutan-2-ol;pentan-2-one?
The canonical SMILES for 2-methylbutan-2-ol;pentan-2-one is CCC(C)(C)O.CCCC(C)=O.
What is the InChIKey of 2-methylbutan-2-ol;pentan-2-one?
The InChIKey is ZVYDCJINCQGOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C5H10O/c1-4-5(2,3)6;1-3-4-5(2)6/h6H,4H2,1-3H3;3-4H2,1-2H3.
What are the key properties of 2-methylbutan-2-ol;pentan-2-one?
2-methylbutan-2-ol;pentan-2-one has a molecular weight of 174.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-ol;pentan-2-one is sourced from PubChem (CID 88715177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).