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

C10H16O2 — CID 15139939

IUPAC3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one
SMILESCC1CCC(C(C)(C)O)=CC1=O
InChIInChI=1S/C10H16O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h6-7,12H,4-5H2,1-3H3
InChIKeyUZYNBCOCHYBCCZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds1

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

3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one (PubChem CID 15139939) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one
PubChem CID15139939
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one
SMILESCC1CCC(C(C)(C)O)=CC1=O
InChIInChI=1S/C10H16O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h6-7,12H,4-5H2,1-3H3
InChIKeyUZYNBCOCHYBCCZ-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 46184405
(S)-Oleuropeic acid
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9-Epiblumenol B
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Bisacurone
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15-Hydroxysolavetivone
CID 25200393
Oleuropeic acid
CID 188320
(+)-Hernandulcin
CID 125608
gamma-Tocopheryl quinone
CID 10320624
beta-Tocopheryl quinone
CID 12444428
Npc111520
CID 14135402
Teuhetenone A
CID 15153216
6-(2-Hydroxy-6-methylhept-5-en-2-yl)-3-methylcyclohex-2-en-1-one
CID 12051505

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one?
The IUPAC name of 3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one (CID 15139939) is 3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one?
The canonical SMILES for 3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one is CC1CCC(C(C)(C)O)=CC1=O.
What is the InChIKey of 3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one?
The InChIKey is UZYNBCOCHYBCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one?
3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one is sourced from PubChem (CID 15139939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).