1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one

C15H28O — CID 64503603

IUPAC1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one
SMILESCCC1CCCC(CCC(=O)C(C)(C)C)C1
InChIInChI=1S/C15H28O/c1-5-12-7-6-8-13(11-12)9-10-14(16)15(2,3)4/h12-13H,5-11H2,1-4H3
InChIKeyYXIGGEMFSUSFJQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.60
Rot. Bonds4

About 1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one

1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one (PubChem CID 64503603) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one
PubChem CID64503603
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one
SMILESCCC1CCCC(CCC(=O)C(C)(C)C)C1
InChIInChI=1S/C15H28O/c1-5-12-7-6-8-13(11-12)9-10-14(16)15(2,3)4/h12-13H,5-11H2,1-4H3
InChIKeyYXIGGEMFSUSFJQ-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dimethyl-1-(oxan-3-yl)pentan-3-one
CID 107137760
1-ethyl-3-propylcyclohexane
CID 22129036
1-(3-ethylcyclopentyl)pentan-3-one
CID 122412950
copper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate
CID 71586776
1-(2-cyclobutylethyl)-3-ethylcyclobutane
CID 123886657
1-(3-chloro-4,4-dimethylpentyl)-3-ethylcyclohexane
CID 64507103
[(1S,3R)-3-ethylcyclohexyl]methanol
CID 14940078
4-(3-ethylcyclohexyl)butan-2-ol
CID 64515545
1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456180
1-cyclopropyl-4-hydroxy-4-methylhexan-3-one
CID 103446812
1-(3-ethylcyclohexyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566302
N-[(3-ethylcyclohexyl)methyl]acetamide
CID 59811764

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one?
The IUPAC name of 1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one (CID 64503603) is 1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one is CCC1CCCC(CCC(=O)C(C)(C)C)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one?
The InChIKey is YXIGGEMFSUSFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-5-12-7-6-8-13(11-12)9-10-14(16)15(2,3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one?
1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one has a molecular weight of 224.39 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 64503603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).