4-[4-[(1E,2E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpenta-2,4-dien-2-yl]oxybutyl]morpholine

C20H29NO2 — CID 153404535

IUPAC4-[4-[(1E,2E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpenta-2,4-dien-2-yl]oxybutyl]morpholine
SMILESC=C/C(C)=C(\C=C1\C=CC=CC1)OCCCCN1CCOCC1
InChIInChI=1S/C20H29NO2/c1-3-18(2)20(17-19-9-5-4-6-10-19)23-14-8-7-11-21-12-15-22-16-13-21/h3-6,9,17H,1,7-8,10-16H2,2H3/b19-17-,20-18+
InChIKeyROMRUYUDHCDARS-YAFCTCPESA-N
MW315.46 g/mol
LogP4.02
Rot. Bonds8

About 4-[4-[(1E,2E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpenta-2,4-dien-2-yl]oxybutyl]morpholine

4-[4-[(1E,2E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpenta-2,4-dien-2-yl]oxybutyl]morpholine (PubChem CID 153404535) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-[4-[(1E,2E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpenta-2,4-dien-2-yl]oxybutyl]morpholine.

Molecular Properties

Compound Name4-[4-[(1E,2E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpenta-2,4-dien-2-yl]oxybutyl]morpholine
PubChem CID153404535
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name4-[4-[(1E,2E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpenta-2,4-dien-2-yl]oxybutyl]morpholine
SMILESC=C/C(C)=C(\C=C1\C=CC=CC1)OCCCCN1CCOCC1
InChIInChI=1S/C20H29NO2/c1-3-18(2)20(17-19-9-5-4-6-10-19)23-14-8-7-11-21-12-15-22-16-13-21/h3-6,9,17H,1,7-8,10-16H2,2H3/b19-17-,20-18+
InChIKeyROMRUYUDHCDARS-YAFCTCPESA-N
XLogP4.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)piperidine
CID 21959220
1-[1-[3-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine
CID 69046520
7-Methoxy-4-prop-2-enyl-2,3,4a,5-tetrahydro-1,4-benzoxazine
CID 70458047
4-[(4-Methyl-6-propan-2-yloxycyclohexa-1,5-dien-1-yl)methyl]morpholine
CID 71036342
4-[2-(4-Iodo-4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine
CID 71170410
1-[2-[(2E,4Z)-4-ethylhexa-2,4-dien-3-yl]oxyethyl]piperidine
CID 89584110
4-[2-[1-(2-Methoxycyclohexa-1,5-dien-1-yl)ethoxy]ethyl]morpholine
CID 89688793
1-[2-(7-Methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine
CID 90905041
4-[3-(6-Methoxy-3,4-dimethylidenecyclohexa-1,5-dien-1-yl)oxypropyl]morpholine
CID 123336666
1-[2-(4-Ethylhexa-2,4-dien-3-yloxy)ethyl]piperidine
CID 123636866
4-[5-Ethylidene-4-methylidene-6-(3-methylidenehept-4-en-2-ylidene)oxan-2-yl]morpholine
CID 123793059
4-(2-Ethylbut-2-enyl)-2-hexa-2,4-dien-3-ylmorpholine
CID 123822583

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1E,2E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpenta-2,4-dien-2-yl]oxybutyl]morpholine?
The IUPAC name of 4-[4-[(1E,2E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpenta-2,4-dien-2-yl]oxybutyl]morpholine (CID 153404535) is 4-[4-[(1E,2E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpenta-2,4-dien-2-yl]oxybutyl]morpholine.
What is the SMILES notation for 4-[4-[(1E,2E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpenta-2,4-dien-2-yl]oxybutyl]morpholine?
The canonical SMILES for 4-[4-[(1E,2E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpenta-2,4-dien-2-yl]oxybutyl]morpholine is C=C/C(C)=C(\C=C1\C=CC=CC1)OCCCCN1CCOCC1.
What is the InChIKey of 4-[4-[(1E,2E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpenta-2,4-dien-2-yl]oxybutyl]morpholine?
The InChIKey is ROMRUYUDHCDARS-YAFCTCPESA-N. The full InChI is InChI=1S/C20H29NO2/c1-3-18(2)20(17-19-9-5-4-6-10-19)23-14-8-7-11-21-12-15-22-16-13-21/h3-6,9,17H,1,7-8,10-16H2,2H3/b19-17-,20-18+.
What are the key properties of 4-[4-[(1E,2E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpenta-2,4-dien-2-yl]oxybutyl]morpholine?
4-[4-[(1E,2E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpenta-2,4-dien-2-yl]oxybutyl]morpholine has a molecular weight of 315.46 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1E,2E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpenta-2,4-dien-2-yl]oxybutyl]morpholine is sourced from PubChem (CID 153404535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).