4-[5-ethylidene-4-methylidene-6-(3-methylidenehept-4-en-2-ylidene)oxan-2-yl]morpholine

C20H29NO2 — CID 123793059

IUPAC4-[5-ethylidene-4-methylidene-6-(3-methylidenehept-4-en-2-ylidene)oxan-2-yl]morpholine
SMILESC=C(C=CCC)C(C)=C1OC(N2CCOCC2)CC(=C)C1=CC
InChIInChI=1S/C20H29NO2/c1-6-8-9-15(3)17(5)20-18(7-2)16(4)14-19(23-20)21-10-12-22-13-11-21/h7-9,19H,3-4,6,10-14H2,1-2,5H3
InChIKeyBEUWIYWQTUQBOM-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.36
Rot. Bonds4

About 4-[5-ethylidene-4-methylidene-6-(3-methylidenehept-4-en-2-ylidene)oxan-2-yl]morpholine

4-[5-ethylidene-4-methylidene-6-(3-methylidenehept-4-en-2-ylidene)oxan-2-yl]morpholine (PubChem CID 123793059) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-[5-ethylidene-4-methylidene-6-(3-methylidenehept-4-en-2-ylidene)oxan-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-ethylidene-4-methylidene-6-(3-methylidenehept-4-en-2-ylidene)oxan-2-yl]morpholine
PubChem CID123793059
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name4-[5-ethylidene-4-methylidene-6-(3-methylidenehept-4-en-2-ylidene)oxan-2-yl]morpholine
SMILESC=C(C=CCC)C(C)=C1OC(N2CCOCC2)CC(=C)C1=CC
InChIInChI=1S/C20H29NO2/c1-6-8-9-15(3)17(5)20-18(7-2)16(4)14-19(23-20)21-10-12-22-13-11-21/h7-9,19H,3-4,6,10-14H2,1-2,5H3
InChIKeyBEUWIYWQTUQBOM-UHFFFAOYSA-N
XLogP4.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[5-ethylidene-4-methylidene-6-(3-methylidenehept-4-en-2-ylidene)oxan-2-yl]morpholine 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 4-[5-ethylidene-4-methylidene-6-(3-methylidenehept-4-en-2-ylidene)oxan-2-yl]morpholine?
The IUPAC name of 4-[5-ethylidene-4-methylidene-6-(3-methylidenehept-4-en-2-ylidene)oxan-2-yl]morpholine (CID 123793059) is 4-[5-ethylidene-4-methylidene-6-(3-methylidenehept-4-en-2-ylidene)oxan-2-yl]morpholine.
What is the SMILES notation for 4-[5-ethylidene-4-methylidene-6-(3-methylidenehept-4-en-2-ylidene)oxan-2-yl]morpholine?
The canonical SMILES for 4-[5-ethylidene-4-methylidene-6-(3-methylidenehept-4-en-2-ylidene)oxan-2-yl]morpholine is C=C(C=CCC)C(C)=C1OC(N2CCOCC2)CC(=C)C1=CC.
What is the InChIKey of 4-[5-ethylidene-4-methylidene-6-(3-methylidenehept-4-en-2-ylidene)oxan-2-yl]morpholine?
The InChIKey is BEUWIYWQTUQBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-6-8-9-15(3)17(5)20-18(7-2)16(4)14-19(23-20)21-10-12-22-13-11-21/h7-9,19H,3-4,6,10-14H2,1-2,5H3.
What are the key properties of 4-[5-ethylidene-4-methylidene-6-(3-methylidenehept-4-en-2-ylidene)oxan-2-yl]morpholine?
4-[5-ethylidene-4-methylidene-6-(3-methylidenehept-4-en-2-ylidene)oxan-2-yl]morpholine has a molecular weight of 315.46 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-ethylidene-4-methylidene-6-(3-methylidenehept-4-en-2-ylidene)oxan-2-yl]morpholine is sourced from PubChem (CID 123793059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).