1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one

C14H26O2 — CID 103456180

IUPAC1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one
SMILESCCC1CCCC(C(=O)C(O)C(C)(C)C)C1
InChIInChI=1S/C14H26O2/c1-5-10-7-6-8-11(9-10)12(15)13(16)14(2,3)4/h10-11,13,16H,5-9H2,1-4H3
InChIKeyOQSLFPJIOKWUFO-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.18
Rot. Bonds3

About 1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one

1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one (PubChem CID 103456180) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one
PubChem CID103456180
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one
SMILESCCC1CCCC(C(=O)C(O)C(C)(C)C)C1
InChIInChI=1S/C14H26O2/c1-5-10-7-6-8-11(9-10)12(15)13(16)14(2,3)4/h10-11,13,16H,5-9H2,1-4H3
InChIKeyOQSLFPJIOKWUFO-UHFFFAOYSA-N
XLogP3.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylcyclohexyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566302
(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one
CID 116606831
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368
propyl 3-(3-ethylcyclohexanecarbonyl)pentanoate
CID 19748326
1-(3-ethylcyclohexyl)ethanethione
CID 175971098
2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone
CID 79078321
1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-one
CID 79190045
1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone
CID 79566351
3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one
CID 116566931
4-amino-1-(3-ethylcyclohexyl)pentan-1-one
CID 116571562
1-(3-ethylcyclohexyl)decan-1-one
CID 65401916

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one (CID 103456180) is 1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one is CCC1CCCC(C(=O)C(O)C(C)(C)C)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one?
The InChIKey is OQSLFPJIOKWUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-10-7-6-8-11(9-10)12(15)13(16)14(2,3)4/h10-11,13,16H,5-9H2,1-4H3.
What are the key properties of 1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one?
1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one has a molecular weight of 226.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one is sourced from PubChem (CID 103456180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).