4-[3-(6-methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine

C16H23NO3 — CID 123336666

IUPAC4-[3-(6-methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine
SMILESC=c1cc(OC)c(OCCCN2CCOCC2)cc1=C
InChIInChI=1S/C16H23NO3/c1-13-11-15(18-3)16(12-14(13)2)20-8-4-5-17-6-9-19-10-7-17/h11-12H,1-2,4-10H2,3H3
InChIKeyJZCYWPXLKGKKQK-UHFFFAOYSA-N
MW277.36 g/mol
LogP0.62
Rot. Bonds6

About 4-[3-(6-methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine

4-[3-(6-methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine (PubChem CID 123336666) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-[3-(6-methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-(6-methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine
PubChem CID123336666
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-[3-(6-methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine
SMILESC=c1cc(OC)c(OCCCN2CCOCC2)cc1=C
InChIInChI=1S/C16H23NO3/c1-13-11-15(18-3)16(12-14(13)2)20-8-4-5-17-6-9-19-10-7-17/h11-12H,1-2,4-10H2,3H3
InChIKeyJZCYWPXLKGKKQK-UHFFFAOYSA-N
XLogP0.62
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-Methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine
CID 71036342
4-[3-(2-Methoxyethoxy)-5-methylcyclohexa-1,3-dien-1-yl]morpholine
CID 71067394
4-[Iodo-(6-methoxycyclohexa-1,5-dien-1-yl)methyl]-2,6-dimethylmorpholine
CID 89688693
4-[2-[1-(2-Methoxycyclohexa-1,5-dien-1-yl)ethoxy]ethyl]morpholine
CID 89688793
1-[4-[(E)-[(3E)-3-ethylidene-1,4-dioxan-2-ylidene]methyl]pent-4-enyl]piperidine
CID 129295706
4-[3-[(4-methoxy-3,7-dihydro-2H-inden-5-yl)oxy]propyl]morpholine
CID 141081188
4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine
CID 142097271
4-[2-(4-Methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine
CID 142097272
4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine
CID 143093213
4-[2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxyethyl]morpholine
CID 143265861
But-2-ene;1-[2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 143349256
4-[3-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]oxypropyl]morpholine
CID 143407616

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine?
The IUPAC name of 4-[3-(6-methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine (CID 123336666) is 4-[3-(6-methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine.
What is the SMILES notation for 4-[3-(6-methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine?
The canonical SMILES for 4-[3-(6-methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine is C=c1cc(OC)c(OCCCN2CCOCC2)cc1=C.
What is the InChIKey of 4-[3-(6-methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine?
The InChIKey is JZCYWPXLKGKKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-13-11-15(18-3)16(12-14(13)2)20-8-4-5-17-6-9-19-10-7-17/h11-12H,1-2,4-10H2,3H3.
What are the key properties of 4-[3-(6-methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine?
4-[3-(6-methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine has a molecular weight of 277.36 g/mol, XLogP of 0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine is sourced from PubChem (CID 123336666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).