(3R,4R)-3-ethyl-4-hydroxy-3-methylpentan-2-one

C8H16O2 — CID 101417410

IUPAC(3R,4R)-3-ethyl-4-hydroxy-3-methylpentan-2-one
SMILESCC[C@@](C)(C(C)=O)[C@@H](C)O
InChIInChI=1S/C8H16O2/c1-5-8(4,6(2)9)7(3)10/h6,9H,5H2,1-4H3/t6-,8-/m1/s1
InChIKeyOXCBYVOOEWRSGH-HTRCEHHLSA-N
MW144.21 g/mol
LogP1.37
Rot. Bonds3

About (3R,4R)-3-ethyl-4-hydroxy-3-methylpentan-2-one

(3R,4R)-3-ethyl-4-hydroxy-3-methylpentan-2-one (PubChem CID 101417410) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (3R,4R)-3-ethyl-4-hydroxy-3-methylpentan-2-one.

Molecular Properties

Compound Name(3R,4R)-3-ethyl-4-hydroxy-3-methylpentan-2-one
PubChem CID101417410
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(3R,4R)-3-ethyl-4-hydroxy-3-methylpentan-2-one
SMILESCC[C@@](C)(C(C)=O)[C@@H](C)O
InChIInChI=1S/C8H16O2/c1-5-8(4,6(2)9)7(3)10/h6,9H,5H2,1-4H3/t6-,8-/m1/s1
InChIKeyOXCBYVOOEWRSGH-HTRCEHHLSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(1R)-1-hydroxyethyl]-3-methylhex-5-en-2-one
CID 131227901
3,3-dimethylbutan-2-one;2-methylbutane
CID 91459434
methyl (2R)-2-ethyl-2,3-dimethylbutanoate
CID 118967887
2,2,4-triethyl-3-hydroxy-4-methylpentanedioic acid
CID 154981818
propan-2-yl 2-ethyl-2,3-dimethylbutanoate
CID 87568455
1-(butan-2-ylamino)-3-ethyl-3,4-dimethylpentan-2-one
CID 118265066
2-hydroxy-2-methylbutanoic acid;propan-2-ol
CID 87318263
(3S)-3-hydroxy-3-methylheptane-2,4-dione
CID 131227261
CID 158035989
CID 158035989
3-amino-3-methylpentan-2-ol
CID 159077240
2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane
CID 158901240
1,1-dihydroxypropan-2-one;propane-1,1,1-triol
CID 141396030

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-ethyl-4-hydroxy-3-methylpentan-2-one?
The IUPAC name of (3R,4R)-3-ethyl-4-hydroxy-3-methylpentan-2-one (CID 101417410) is (3R,4R)-3-ethyl-4-hydroxy-3-methylpentan-2-one.
What is the SMILES notation for (3R,4R)-3-ethyl-4-hydroxy-3-methylpentan-2-one?
The canonical SMILES for (3R,4R)-3-ethyl-4-hydroxy-3-methylpentan-2-one is CC[C@@](C)(C(C)=O)[C@@H](C)O.
What is the InChIKey of (3R,4R)-3-ethyl-4-hydroxy-3-methylpentan-2-one?
The InChIKey is OXCBYVOOEWRSGH-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-8(4,6(2)9)7(3)10/h6,9H,5H2,1-4H3/t6-,8-/m1/s1.
What are the key properties of (3R,4R)-3-ethyl-4-hydroxy-3-methylpentan-2-one?
(3R,4R)-3-ethyl-4-hydroxy-3-methylpentan-2-one has a molecular weight of 144.21 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-ethyl-4-hydroxy-3-methylpentan-2-one is sourced from PubChem (CID 101417410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).