(3-ethylcyclohexyl)-(oxan-4-yl)methanone

C14H24O2 — CID 65329371

IUPAC(3-ethylcyclohexyl)-(oxan-4-yl)methanone
SMILESCCC1CCCC(C(=O)C2CCOCC2)C1
InChIInChI=1S/C14H24O2/c1-2-11-4-3-5-13(10-11)14(15)12-6-8-16-9-7-12/h11-13H,2-10H2,1H3
InChIKeyGAKNDPKEMBAZSK-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.20
Rot. Bonds3

About (3-ethylcyclohexyl)-(oxan-4-yl)methanone

(3-ethylcyclohexyl)-(oxan-4-yl)methanone (PubChem CID 65329371) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(oxan-4-yl)methanone
PubChem CID65329371
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(3-ethylcyclohexyl)-(oxan-4-yl)methanone
SMILESCCC1CCCC(C(=O)C2CCOCC2)C1
InChIInChI=1S/C14H24O2/c1-2-11-4-3-5-13(10-11)14(15)12-6-8-16-9-7-12/h11-13H,2-10H2,1H3
InChIKeyGAKNDPKEMBAZSK-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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Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(oxan-4-yl)methanone?
The IUPAC name of (3-ethylcyclohexyl)-(oxan-4-yl)methanone (CID 65329371) is (3-ethylcyclohexyl)-(oxan-4-yl)methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-(oxan-4-yl)methanone?
The canonical SMILES for (3-ethylcyclohexyl)-(oxan-4-yl)methanone is CCC1CCCC(C(=O)C2CCOCC2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(oxan-4-yl)methanone?
The InChIKey is GAKNDPKEMBAZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-11-4-3-5-13(10-11)14(15)12-6-8-16-9-7-12/h11-13H,2-10H2,1H3.
What are the key properties of (3-ethylcyclohexyl)-(oxan-4-yl)methanone?
(3-ethylcyclohexyl)-(oxan-4-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 (3-ethylcyclohexyl)-(oxan-4-yl)methanone is sourced from PubChem (CID 65329371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).