3,4-diethyl-4-hydroxycyclohex-2-en-1-one

C10H16O2 — CID 134895720

IUPAC3,4-diethyl-4-hydroxycyclohex-2-en-1-one
SMILESCCC1=CC(=O)CCC1(O)CC
InChIInChI=1S/C10H16O2/c1-3-8-7-9(11)5-6-10(8,12)4-2/h7,12H,3-6H2,1-2H3
InChIKeyMTRXHMRPGSPUDB-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.83
Rot. Bonds2

About 3,4-diethyl-4-hydroxycyclohex-2-en-1-one

3,4-diethyl-4-hydroxycyclohex-2-en-1-one (PubChem CID 134895720) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3,4-diethyl-4-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name3,4-diethyl-4-hydroxycyclohex-2-en-1-one
PubChem CID134895720
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3,4-diethyl-4-hydroxycyclohex-2-en-1-one
SMILESCCC1=CC(=O)CCC1(O)CC
InChIInChI=1S/C10H16O2/c1-3-8-7-9(11)5-6-10(8,12)4-2/h7,12H,3-6H2,1-2H3
InChIKeyMTRXHMRPGSPUDB-UHFFFAOYSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethyl-2-hydroxy-5,8-dimethoxy-3,4-dihydronaphthalen-1-one
CID 14448209
3-ethyl-4-(1-hydroxy-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl)-4-methylcyclohex-2-en-1-one
CID 143782802
(1R)-7a-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 15126341
3-hydroxy-4,4-dimethylcyclohex-2-en-1-one
CID 13297859
4-[6,7a-dihydroxy-1-(2-hydroxyacetyl)-1,2,3,3a,4,5,6,7-octahydroinden-5-yl]-3-ethyl-4-methylcyclohex-2-en-1-one
CID 154694764
10-ethyl-6-methyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one
CID 23451711
ethane;1-ethyl-2,3-dihydroinden-1-ol
CID 90872603
3-(azetidin-1-ylmethyl)-4,4-dimethylcyclohex-2-en-1-one
CID 139820259
(3R)-3-ethyl-3-hydroxyoxolan-2-one
CID 100940075
3-ethyl-3-hydroxypyrrolidin-2-one
CID 123912122
4-(4-methylpentyl)-1-oxaspiro[2.5]oct-4-en-6-one
CID 19034353
(6,6-dimethyl-3-oxocyclohexen-1-yl) propanoate
CID 18320090

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-4-hydroxycyclohex-2-en-1-one?
The IUPAC name of 3,4-diethyl-4-hydroxycyclohex-2-en-1-one (CID 134895720) is 3,4-diethyl-4-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for 3,4-diethyl-4-hydroxycyclohex-2-en-1-one?
The canonical SMILES for 3,4-diethyl-4-hydroxycyclohex-2-en-1-one is CCC1=CC(=O)CCC1(O)CC.
What is the InChIKey of 3,4-diethyl-4-hydroxycyclohex-2-en-1-one?
The InChIKey is MTRXHMRPGSPUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-8-7-9(11)5-6-10(8,12)4-2/h7,12H,3-6H2,1-2H3.
What are the key properties of 3,4-diethyl-4-hydroxycyclohex-2-en-1-one?
3,4-diethyl-4-hydroxycyclohex-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-4-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 134895720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).