(2-ethylcyclohexyl)-(oxan-3-yl)methanone

C14H24O2 — CID 65331736

IUPAC(2-ethylcyclohexyl)-(oxan-3-yl)methanone
SMILESCCC1CCCCC1C(=O)C1CCCOC1
InChIInChI=1S/C14H24O2/c1-2-11-6-3-4-8-13(11)14(15)12-7-5-9-16-10-12/h11-13H,2-10H2,1H3
InChIKeyHACCIHLEQMZUBZ-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.20
Rot. Bonds3

About (2-ethylcyclohexyl)-(oxan-3-yl)methanone

(2-ethylcyclohexyl)-(oxan-3-yl)methanone (PubChem CID 65331736) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (2-ethylcyclohexyl)-(oxan-3-yl)methanone.

Molecular Properties

Compound Name(2-ethylcyclohexyl)-(oxan-3-yl)methanone
PubChem CID65331736
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(2-ethylcyclohexyl)-(oxan-3-yl)methanone
SMILESCCC1CCCCC1C(=O)C1CCCOC1
InChIInChI=1S/C14H24O2/c1-2-11-6-3-4-8-13(11)14(15)12-7-5-9-16-10-12/h11-13H,2-10H2,1H3
InChIKeyHACCIHLEQMZUBZ-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-aminocyclopentyl)-(oxan-3-yl)methanone
CID 107138398
(2-methylpiperidin-3-yl)-(oxan-3-yl)methanone
CID 130892569
(2-ethylcyclohexyl)-(thiolan-3-yl)methanone
CID 105102324
(2-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone
CID 114973777
(3R)-oxane-3-carboxylic acid
CID 42554318
oxane-3-carboxamide
CID 22714381
methyl (3R)-oxane-3-carboxylate
CID 86306897
1-(oxan-3-yl)pentan-1-one
CID 65332332
oxan-2-yl(oxan-3-yl)methanone
CID 107138647
cycloheptyl(oxolan-3-yl)methanone
CID 65399453
[(3R)-oxan-3-yl]-[(3R)-piperidin-3-yl]methanone
CID 124675211
2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one
CID 107135929

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl)-(oxan-3-yl)methanone?
The IUPAC name of (2-ethylcyclohexyl)-(oxan-3-yl)methanone (CID 65331736) is (2-ethylcyclohexyl)-(oxan-3-yl)methanone.
What is the SMILES notation for (2-ethylcyclohexyl)-(oxan-3-yl)methanone?
The canonical SMILES for (2-ethylcyclohexyl)-(oxan-3-yl)methanone is CCC1CCCCC1C(=O)C1CCCOC1.
What is the InChIKey of (2-ethylcyclohexyl)-(oxan-3-yl)methanone?
The InChIKey is HACCIHLEQMZUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-11-6-3-4-8-13(11)14(15)12-7-5-9-16-10-12/h11-13H,2-10H2,1H3.
What are the key properties of (2-ethylcyclohexyl)-(oxan-3-yl)methanone?
(2-ethylcyclohexyl)-(oxan-3-yl)methanone has a molecular weight of 224.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl)-(oxan-3-yl)methanone is sourced from PubChem (CID 65331736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).