(2R)-1,2-dihydroxy-4,4-dimethylpentan-3-one;methane

C8H18O3 — CID 160834732

IUPAC(2R)-1,2-dihydroxy-4,4-dimethylpentan-3-one;methane
SMILESC.CC(C)(C)C(=O)[C@H](O)CO
InChIInChI=1S/C7H14O3.CH4/c1-7(2,3)6(10)5(9)4-8;/h5,8-9H,4H2,1-3H3;1H4/t5-;/m1./s1
InChIKeySHGMNVFPWYUPSL-NUBCRITNSA-N
MW162.23 g/mol
LogP0.59
Rot. Bonds2

About (2R)-1,2-dihydroxy-4,4-dimethylpentan-3-one;methane

(2R)-1,2-dihydroxy-4,4-dimethylpentan-3-one;methane (PubChem CID 160834732) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is (2R)-1,2-dihydroxy-4,4-dimethylpentan-3-one;methane.

Molecular Properties

Compound Name(2R)-1,2-dihydroxy-4,4-dimethylpentan-3-one;methane
PubChem CID160834732
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name(2R)-1,2-dihydroxy-4,4-dimethylpentan-3-one;methane
SMILESC.CC(C)(C)C(=O)[C@H](O)CO
InChIInChI=1S/C7H14O3.CH4/c1-7(2,3)6(10)5(9)4-8;/h5,8-9H,4H2,1-3H3;1H4/t5-;/m1./s1
InChIKeySHGMNVFPWYUPSL-NUBCRITNSA-N
XLogP0.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-hydroxy-2,2-dimethylhexan-3-one
CID 170275468
4-hydroxy-2,2-dimethylheptan-3-one
CID 103453766
(4R,5S,6R)-4,5,6,7,8-pentahydroxy-2,2-dimethyloctan-3-one
CID 89221826
methyl (3S)-3-hydroxy-5,5-dimethyl-4-oxohexanoate
CID 155654765
(4R,5R,6S,7R,8R)-4,5,6,7,8,9-hexahydroxy-2,2-dimethylnonan-3-one
CID 58201993
2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid
CID 159861269
tert-butyl 2,3-dihydroxypropanoate
CID 22035660
(4S)-1,2,4,5-tetrahydroxypentan-3-one
CID 54455604
tert-butyl 2,3-dihydroxypropanoate;hydrate
CID 141006669
(4R,5R)-4-hydroxy-5-(hydroxymethyl)-2,2,8,8-tetramethylnonan-3-one
CID 153306668
(4R,5S)-4-hydroxy-5-(hydroxymethyl)-2,2,8,8-tetramethylnonan-3-one
CID 153298942
(4S)-4-(hydroxymethyl)-2,2,7-trimethyloctan-3-one
CID 153306609

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-dihydroxy-4,4-dimethylpentan-3-one;methane?
The IUPAC name of (2R)-1,2-dihydroxy-4,4-dimethylpentan-3-one;methane (CID 160834732) is (2R)-1,2-dihydroxy-4,4-dimethylpentan-3-one;methane.
What is the SMILES notation for (2R)-1,2-dihydroxy-4,4-dimethylpentan-3-one;methane?
The canonical SMILES for (2R)-1,2-dihydroxy-4,4-dimethylpentan-3-one;methane is C.CC(C)(C)C(=O)[C@H](O)CO.
What is the InChIKey of (2R)-1,2-dihydroxy-4,4-dimethylpentan-3-one;methane?
The InChIKey is SHGMNVFPWYUPSL-NUBCRITNSA-N. The full InChI is InChI=1S/C7H14O3.CH4/c1-7(2,3)6(10)5(9)4-8;/h5,8-9H,4H2,1-3H3;1H4/t5-;/m1./s1.
What are the key properties of (2R)-1,2-dihydroxy-4,4-dimethylpentan-3-one;methane?
(2R)-1,2-dihydroxy-4,4-dimethylpentan-3-one;methane has a molecular weight of 162.23 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-dihydroxy-4,4-dimethylpentan-3-one;methane is sourced from PubChem (CID 160834732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).