(5-ethyl-4-methyloxan-2-yl) 2-methylidenepentanoate

C14H24O3 — CID 162744194

IUPAC(5-ethyl-4-methyloxan-2-yl) 2-methylidenepentanoate
SMILESC=C(CCC)C(=O)OC1CC(C)C(CC)CO1
InChIInChI=1S/C14H24O3/c1-5-7-10(3)14(15)17-13-8-11(4)12(6-2)9-16-13/h11-13H,3,5-9H2,1-2,4H3
InChIKeyOSMBYTLHNXKPSM-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.29
Rot. Bonds5

About (5-ethyl-4-methyloxan-2-yl) 2-methylidenepentanoate

(5-ethyl-4-methyloxan-2-yl) 2-methylidenepentanoate (PubChem CID 162744194) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (5-ethyl-4-methyloxan-2-yl) 2-methylidenepentanoate.

Molecular Properties

Compound Name(5-ethyl-4-methyloxan-2-yl) 2-methylidenepentanoate
PubChem CID162744194
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(5-ethyl-4-methyloxan-2-yl) 2-methylidenepentanoate
SMILESC=C(CCC)C(=O)OC1CC(C)C(CC)CO1
InChIInChI=1S/C14H24O3/c1-5-7-10(3)14(15)17-13-8-11(4)12(6-2)9-16-13/h11-13H,3,5-9H2,1-2,4H3
InChIKeyOSMBYTLHNXKPSM-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5-ethyl-4-methyloxan-2-yl) 2-methylidenepentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methyloxan-2-yl) 2-methylidenepentanoate?
The IUPAC name of (5-ethyl-4-methyloxan-2-yl) 2-methylidenepentanoate (CID 162744194) is (5-ethyl-4-methyloxan-2-yl) 2-methylidenepentanoate.
What is the SMILES notation for (5-ethyl-4-methyloxan-2-yl) 2-methylidenepentanoate?
The canonical SMILES for (5-ethyl-4-methyloxan-2-yl) 2-methylidenepentanoate is C=C(CCC)C(=O)OC1CC(C)C(CC)CO1.
What is the InChIKey of (5-ethyl-4-methyloxan-2-yl) 2-methylidenepentanoate?
The InChIKey is OSMBYTLHNXKPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-7-10(3)14(15)17-13-8-11(4)12(6-2)9-16-13/h11-13H,3,5-9H2,1-2,4H3.
What are the key properties of (5-ethyl-4-methyloxan-2-yl) 2-methylidenepentanoate?
(5-ethyl-4-methyloxan-2-yl) 2-methylidenepentanoate has a molecular weight of 240.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methyloxan-2-yl) 2-methylidenepentanoate is sourced from PubChem (CID 162744194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).