(2R,4S)-4-methoxypentan-2-ol

C6H14O2 — CID 59003340

IUPAC(2R,4S)-4-methoxypentan-2-ol
SMILESCO[C@@H](C)C[C@@H](C)O
InChIInChI=1S/C6H14O2/c1-5(7)4-6(2)8-3/h5-7H,4H2,1-3H3/t5-,6+/m1/s1
InChIKeyGXVDVJQTXFTVMP-RITPCOANSA-N
MW118.18 g/mol
LogP0.79
Rot. Bonds3

About (2R,4S)-4-methoxypentan-2-ol

(2R,4S)-4-methoxypentan-2-ol (PubChem CID 59003340) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is (2R,4S)-4-methoxypentan-2-ol.

Molecular Properties

Compound Name(2R,4S)-4-methoxypentan-2-ol
PubChem CID59003340
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name(2R,4S)-4-methoxypentan-2-ol
SMILESCO[C@@H](C)C[C@@H](C)O
InChIInChI=1S/C6H14O2/c1-5(7)4-6(2)8-3/h5-7H,4H2,1-3H3/t5-,6+/m1/s1
InChIKeyGXVDVJQTXFTVMP-RITPCOANSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tris(pentane-2,4-diol);ruthenium
CID 5231187
methanol;5-methoxyhexan-3-ol
CID 171659791
[(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate
CID 131855497
4-(2-methoxyethoxy)pentan-2-ol
CID 64721506
(3R,4S,5S,7R)-7-methoxy-2,4-dimethyloctane-3,5-diol
CID 131853191
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
[(2R,4S)-4-hydroxypentan-2-yl] acetate
CID 12014618
1-[3-[3-[3-[3-(1,3-dihydroxy-3-methoxypropoxy)-1,3-dihydroxypropoxy]-1,3-dihydroxypropoxy]-1,3-dihydroxypropoxy]-1,3-dihydroxypropoxy]butane-1,3-diol
CID 23556407
4-hydroxypentan-2-yl acetate;methane
CID 161366769

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-methoxypentan-2-ol?
The IUPAC name of (2R,4S)-4-methoxypentan-2-ol (CID 59003340) is (2R,4S)-4-methoxypentan-2-ol.
What is the SMILES notation for (2R,4S)-4-methoxypentan-2-ol?
The canonical SMILES for (2R,4S)-4-methoxypentan-2-ol is CO[C@@H](C)C[C@@H](C)O.
What is the InChIKey of (2R,4S)-4-methoxypentan-2-ol?
The InChIKey is GXVDVJQTXFTVMP-RITPCOANSA-N. The full InChI is InChI=1S/C6H14O2/c1-5(7)4-6(2)8-3/h5-7H,4H2,1-3H3/t5-,6+/m1/s1.
What are the key properties of (2R,4S)-4-methoxypentan-2-ol?
(2R,4S)-4-methoxypentan-2-ol has a molecular weight of 118.18 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-methoxypentan-2-ol is sourced from PubChem (CID 59003340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).