1-(3-ethylcyclohexyl)decan-1-one

C18H34O — CID 65401916

IUPAC1-(3-ethylcyclohexyl)decan-1-one
SMILESCCCCCCCCCC(=O)C1CCCC(CC)C1
InChIInChI=1S/C18H34O/c1-3-5-6-7-8-9-10-14-18(19)17-13-11-12-16(4-2)15-17/h16-17H,3-15H2,1-2H3
InChIKeyASGVUKSVROBPQV-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.91
Rot. Bonds10

About 1-(3-ethylcyclohexyl)decan-1-one

1-(3-ethylcyclohexyl)decan-1-one (PubChem CID 65401916) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)decan-1-one.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)decan-1-one
PubChem CID65401916
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name1-(3-ethylcyclohexyl)decan-1-one
SMILESCCCCCCCCCC(=O)C1CCCC(CC)C1
InChIInChI=1S/C18H34O/c1-3-5-6-7-8-9-10-14-18(19)17-13-11-12-16(4-2)15-17/h16-17H,3-15H2,1-2H3
InChIKeyASGVUKSVROBPQV-UHFFFAOYSA-N
XLogP5.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethylcyclopentyl)tridecan-1-one
CID 65406595
1-cyclobutyldodecan-1-one
CID 115811550
1-cyclohexyldecan-1-one
CID 63409715
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368
1-(3-ethylcyclopentyl)butan-1-one
CID 65407371
4-amino-1-(3-ethylcyclohexyl)pentan-1-one
CID 116571562
2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone
CID 79078321
1-(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)hexadecan-1-one
CID 171939342
3-hexylcyclohexane-1-carboxylic acid
CID 66817282
1,8-di(cyclobutyl)octane-1,8-dione
CID 70972585
(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
1-cycloheptylpentan-1-one
CID 65399298

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)decan-1-one?
The IUPAC name of 1-(3-ethylcyclohexyl)decan-1-one (CID 65401916) is 1-(3-ethylcyclohexyl)decan-1-one.
What is the SMILES notation for 1-(3-ethylcyclohexyl)decan-1-one?
The canonical SMILES for 1-(3-ethylcyclohexyl)decan-1-one is CCCCCCCCCC(=O)C1CCCC(CC)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)decan-1-one?
The InChIKey is ASGVUKSVROBPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-3-5-6-7-8-9-10-14-18(19)17-13-11-12-16(4-2)15-17/h16-17H,3-15H2,1-2H3.
What are the key properties of 1-(3-ethylcyclohexyl)decan-1-one?
1-(3-ethylcyclohexyl)decan-1-one has a molecular weight of 266.47 g/mol, XLogP of 5.91, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)decan-1-one is sourced from PubChem (CID 65401916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).