ethane;1-(4-ethylcyclohexyl)butan-2-one

C14H28O — CID 154679041

IUPACethane;1-(4-ethylcyclohexyl)butan-2-one
SMILESCC.CCC(=O)CC1CCC(CC)CC1
InChIInChI=1S/C12H22O.C2H6/c1-3-10-5-7-11(8-6-10)9-12(13)4-2;1-2/h10-11H,3-9H2,1-2H3;1-2H3
InChIKeyXHKZNSNYBUTYSI-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.60
Rot. Bonds4

About ethane;1-(4-ethylcyclohexyl)butan-2-one

ethane;1-(4-ethylcyclohexyl)butan-2-one (PubChem CID 154679041) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is ethane;1-(4-ethylcyclohexyl)butan-2-one.

Molecular Properties

Compound Nameethane;1-(4-ethylcyclohexyl)butan-2-one
PubChem CID154679041
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Nameethane;1-(4-ethylcyclohexyl)butan-2-one
SMILESCC.CCC(=O)CC1CCC(CC)CC1
InChIInChI=1S/C12H22O.C2H6/c1-3-10-5-7-11(8-6-10)9-12(13)4-2;1-2/h10-11H,3-9H2,1-2H3;1-2H3
InChIKeyXHKZNSNYBUTYSI-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(ethylamino)cyclohexyl]butan-2-one
CID 89002199
ethane;ethylcyclopropane
CID 91380076
acetic acid;ethylcyclopropane
CID 175213909
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
2-bromo-1-(4-ethylcyclohexyl)ethanone
CID 130606092
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone
CID 116559958
1-(3-ethylcyclopentyl)pentan-3-one
CID 122412950
1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)butan-2-one
CID 157030649
azane;ethylcyclopropane
CID 20975579
(2S,5S)-5-(2-oxobutyl)oxane-2-carboxamide
CID 162133832
2-aminoacetic acid;ethylcyclopropane
CID 144543522

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethylcyclohexyl)butan-2-one?
The IUPAC name of ethane;1-(4-ethylcyclohexyl)butan-2-one (CID 154679041) is ethane;1-(4-ethylcyclohexyl)butan-2-one.
What is the SMILES notation for ethane;1-(4-ethylcyclohexyl)butan-2-one?
The canonical SMILES for ethane;1-(4-ethylcyclohexyl)butan-2-one is CC.CCC(=O)CC1CCC(CC)CC1.
What is the InChIKey of ethane;1-(4-ethylcyclohexyl)butan-2-one?
The InChIKey is XHKZNSNYBUTYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O.C2H6/c1-3-10-5-7-11(8-6-10)9-12(13)4-2;1-2/h10-11H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-ethylcyclohexyl)butan-2-one?
ethane;1-(4-ethylcyclohexyl)butan-2-one has a molecular weight of 212.38 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 ethane;1-(4-ethylcyclohexyl)butan-2-one is sourced from PubChem (CID 154679041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).