4-(3-methoxypenta-1,3-dien-2-yl)-2,2-dimethylmorpholine

C12H21NO2 — CID 123820756

IUPAC4-(3-methoxypenta-1,3-dien-2-yl)-2,2-dimethylmorpholine
SMILESC=C(C(=CC)OC)N1CCOC(C)(C)C1
InChIInChI=1S/C12H21NO2/c1-6-11(14-5)10(2)13-7-8-15-12(3,4)9-13/h6H,2,7-9H2,1,3-5H3
InChIKeyRHDMDFKVQCLAHI-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.16
Rot. Bonds3

About 4-(3-methoxypenta-1,3-dien-2-yl)-2,2-dimethylmorpholine

4-(3-methoxypenta-1,3-dien-2-yl)-2,2-dimethylmorpholine (PubChem CID 123820756) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-(3-methoxypenta-1,3-dien-2-yl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-(3-methoxypenta-1,3-dien-2-yl)-2,2-dimethylmorpholine
PubChem CID123820756
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-(3-methoxypenta-1,3-dien-2-yl)-2,2-dimethylmorpholine
SMILESC=C(C(=CC)OC)N1CCOC(C)(C)C1
InChIInChI=1S/C12H21NO2/c1-6-11(14-5)10(2)13-7-8-15-12(3,4)9-13/h6H,2,7-9H2,1,3-5H3
InChIKeyRHDMDFKVQCLAHI-UHFFFAOYSA-N
XLogP2.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Morpholine, 4-(2-ethoxy-1-methylene-2-propenyl)-
CID 10797546
(2Z)-4-ethyl-2-(1-fluoroethylidene)-5-methyl-3-methylidenemorpholine
CID 142486810
4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine
CID 10932405
4,4-Dimethyl-3-methylidene-2-propan-2-ylidenemorpholin-4-ium
CID 89047024
4-(4-Methoxyhexa-2,4-dien-3-yl)morpholine
CID 90799986
Ethane;2-ethenylidene-4-ethyl-3-methylidenemorpholine
CID 90968281
2,3-Di(ethylidene)-4-methylmorpholine
CID 91562621
4-(4-Ethoxyhexa-2,4-dien-3-yl)morpholine
CID 91592386
3-But-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine
CID 123995320
(2E,3E)-2,3-di(ethylidene)-4-methylmorpholine
CID 131981942
ethene;(2E)-4-ethenyl-2-ethylidene-5-methyl-3-methylidenemorpholine
CID 141805781
ethene;(2E)-4-ethenyl-2-ethylidene-5-methyl-3-methylidenemorpholine;propane
CID 141805786

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypenta-1,3-dien-2-yl)-2,2-dimethylmorpholine?
The IUPAC name of 4-(3-methoxypenta-1,3-dien-2-yl)-2,2-dimethylmorpholine (CID 123820756) is 4-(3-methoxypenta-1,3-dien-2-yl)-2,2-dimethylmorpholine.
What is the SMILES notation for 4-(3-methoxypenta-1,3-dien-2-yl)-2,2-dimethylmorpholine?
The canonical SMILES for 4-(3-methoxypenta-1,3-dien-2-yl)-2,2-dimethylmorpholine is C=C(C(=CC)OC)N1CCOC(C)(C)C1.
What is the InChIKey of 4-(3-methoxypenta-1,3-dien-2-yl)-2,2-dimethylmorpholine?
The InChIKey is RHDMDFKVQCLAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-6-11(14-5)10(2)13-7-8-15-12(3,4)9-13/h6H,2,7-9H2,1,3-5H3.
What are the key properties of 4-(3-methoxypenta-1,3-dien-2-yl)-2,2-dimethylmorpholine?
4-(3-methoxypenta-1,3-dien-2-yl)-2,2-dimethylmorpholine has a molecular weight of 211.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypenta-1,3-dien-2-yl)-2,2-dimethylmorpholine is sourced from PubChem (CID 123820756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).