methane;(2R)-4-methylpentan-2-ol

C7H18O — CID 159585988

IUPACmethane;(2R)-4-methylpentan-2-ol
SMILESC.CC(C)C[C@@H](C)O
InChIInChI=1S/C6H14O.CH4/c1-5(2)4-6(3)7;/h5-7H,4H2,1-3H3;1H4/t6-;/m1./s1
InChIKeyMJPUIUNQLUOLSV-FYZOBXCZSA-N
MW118.22 g/mol
LogP2.05
Rot. Bonds2

About methane;(2R)-4-methylpentan-2-ol

methane;(2R)-4-methylpentan-2-ol (PubChem CID 159585988) has the molecular formula C7H18O and a molecular weight of 118.22 g/mol. Its IUPAC name is methane;(2R)-4-methylpentan-2-ol.

Molecular Properties

Compound Namemethane;(2R)-4-methylpentan-2-ol
PubChem CID159585988
Molecular FormulaC7H18O
Molecular Weight118.22 g/mol
Exact Mass118.14
IUPAC Namemethane;(2R)-4-methylpentan-2-ol
SMILESC.CC(C)C[C@@H](C)O
InChIInChI=1S/C6H14O.CH4/c1-5(2)4-6(3)7;/h5-7H,4H2,1-3H3;1H4/t6-;/m1./s1
InChIKeyMJPUIUNQLUOLSV-FYZOBXCZSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylpentan-2-ol;titanium
CID 158071265
4-methylpentan-2-ol;zinc
CID 158419154
ethane-1,2-diol;4-methylpentan-2-ol
CID 158261198
tris(pentane-2,4-diol);ruthenium
CID 5231187
copper bis(pentane-2,4-diol)
CID 135036707
europium;tetrakis(pentane-2,4-diol)
CID 59946569
palladium;bis(pentane-2,4-diol)
CID 58773675
iron(2+);bis(pentane-2,4-diol)
CID 161218003
2-ethylbutan-1-ol;4-methylpentan-2-ol
CID 18702116
2,4-dimethylpentane;methane
CID 159476318
(2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane
CID 158186042
carbanide;bis(pentane-2,4-diol);titanium(2+)
CID 58114426

Frequently Asked Questions

What is the IUPAC name of methane;(2R)-4-methylpentan-2-ol?
The IUPAC name of methane;(2R)-4-methylpentan-2-ol (CID 159585988) is methane;(2R)-4-methylpentan-2-ol.
What is the SMILES notation for methane;(2R)-4-methylpentan-2-ol?
The canonical SMILES for methane;(2R)-4-methylpentan-2-ol is C.CC(C)C[C@@H](C)O.
What is the InChIKey of methane;(2R)-4-methylpentan-2-ol?
The InChIKey is MJPUIUNQLUOLSV-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H14O.CH4/c1-5(2)4-6(3)7;/h5-7H,4H2,1-3H3;1H4/t6-;/m1./s1.
What are the key properties of methane;(2R)-4-methylpentan-2-ol?
methane;(2R)-4-methylpentan-2-ol has a molecular weight of 118.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2R)-4-methylpentan-2-ol is sourced from PubChem (CID 159585988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).