(6R)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one

C10H16O3 — CID 15139940

IUPAC(6R)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one
SMILESCC(C)(O)C1=CC(=O)[C@](C)(O)CC1
InChIInChI=1S/C10H16O3/c1-9(2,12)7-4-5-10(3,13)8(11)6-7/h6,12-13H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyQGCSRXXUIPOZJS-SNVBAGLBSA-N
MW184.23 g/mol
LogP0.80
Rot. Bonds1

About (6R)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one

(6R)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one (PubChem CID 15139940) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (6R)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one
PubChem CID15139940
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(6R)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one
SMILESCC(C)(O)C1=CC(=O)[C@](C)(O)CC1
InChIInChI=1S/C10H16O3/c1-9(2,12)7-4-5-10(3,13)8(11)6-7/h6,12-13H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyQGCSRXXUIPOZJS-SNVBAGLBSA-N
XLogP0.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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9-Hydroxy-3-epi-perforenone A
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(4S)-4-hydroxy-4-methyl-2-[(3R)-2-methyl-6-oxoheptan-3-yl]cyclohex-2-en-1-one
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3-Hydroxy-1,10-bisaboladien-9-one
CID 14633003
(4alpha,10beta)-4,10-Dihydroxy cadin-1(6)-en-5-one
CID 101434798
10-Hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one
CID 11368417
3-Geranyl-1-(3-methylbutanoyl)phloroglucinol
CID 129737718
Verticinol A
CID 139585723
Pleosporol A
CID 156582099
Pleosporol B
CID 156582100
(6S)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one
CID 162909242
(6R,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one
CID 162973832

Frequently Asked Questions

What is the IUPAC name of (6R)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one?
The IUPAC name of (6R)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one (CID 15139940) is (6R)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one.
What is the SMILES notation for (6R)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one?
The canonical SMILES for (6R)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one is CC(C)(O)C1=CC(=O)[C@](C)(O)CC1.
What is the InChIKey of (6R)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one?
The InChIKey is QGCSRXXUIPOZJS-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16O3/c1-9(2,12)7-4-5-10(3,13)8(11)6-7/h6,12-13H,4-5H2,1-3H3/t10-/m1/s1.
What are the key properties of (6R)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one?
(6R)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one has a molecular weight of 184.23 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one is sourced from PubChem (CID 15139940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).