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

C14H24O2 — CID 114976477

IUPAC(3-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone
SMILESCCC1CCCC(C(=O)C2CCOC2C)C1
InChIInChI=1S/C14H24O2/c1-3-11-5-4-6-12(9-11)14(15)13-7-8-16-10(13)2/h10-13H,3-9H2,1-2H3
InChIKeyQOBIBSRHXOPORW-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.20
Rot. Bonds3

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

(3-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone (PubChem CID 114976477) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone
PubChem CID114976477
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(3-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone
SMILESCCC1CCCC(C(=O)C2CCOC2C)C1
InChIInChI=1S/C14H24O2/c1-3-11-5-4-6-12(9-11)14(15)13-7-8-16-10(13)2/h10-13H,3-9H2,1-2H3
InChIKeyQOBIBSRHXOPORW-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)-(2-methyloxolan-3-yl)methanone?
The IUPAC name of (3-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone (CID 114976477) is (3-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for (3-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone is CCC1CCCC(C(=O)C2CCOC2C)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone?
The InChIKey is QOBIBSRHXOPORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-11-5-4-6-12(9-11)14(15)13-7-8-16-10(13)2/h10-13H,3-9H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone?
(3-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 (3-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114976477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).