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

C14H24O2 — CID 114973777

IUPAC(2-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone
SMILESCCC1CCCCC1C(=O)C1CCOC1C
InChIInChI=1S/C14H24O2/c1-3-11-6-4-5-7-13(11)14(15)12-8-9-16-10(12)2/h10-13H,3-9H2,1-2H3
InChIKeyUIOILSWJRAXKBC-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.20
Rot. Bonds3

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

(2-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone (PubChem CID 114973777) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (2-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(2-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone
PubChem CID114973777
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(2-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone
SMILESCCC1CCCCC1C(=O)C1CCOC1C
InChIInChI=1S/C14H24O2/c1-3-11-6-4-5-7-13(11)14(15)12-8-9-16-10(12)2/h10-13H,3-9H2,1-2H3
InChIKeyUIOILSWJRAXKBC-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 (2-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone?
The IUPAC name of (2-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone (CID 114973777) is (2-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for (2-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for (2-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone is CCC1CCCCC1C(=O)C1CCOC1C.
What is the InChIKey of (2-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone?
The InChIKey is UIOILSWJRAXKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-11-6-4-5-7-13(11)14(15)12-8-9-16-10(12)2/h10-13H,3-9H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone?
(2-ethylcyclohexyl)-(2-methyloxolan-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)-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114973777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).