4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine

C14H23NO2 — CID 143052647

IUPAC4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine
SMILESC=C/C(=C\C=C(C)C)OCCN1CCOCC1
InChIInChI=1S/C14H23NO2/c1-4-14(6-5-13(2)3)17-12-9-15-7-10-16-11-8-15/h4-6H,1,7-12H2,2-3H3/b14-6+
InChIKeyCKMDKHRFDSCHRW-MKMNVTDBSA-N
MW237.34 g/mol
LogP2.37
Rot. Bonds6

About 4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine

4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine (PubChem CID 143052647) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine
PubChem CID143052647
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine
SMILESC=C/C(=C\C=C(C)C)OCCN1CCOCC1
InChIInChI=1S/C14H23NO2/c1-4-14(6-5-13(2)3)17-12-9-15-7-10-16-11-8-15/h4-6H,1,7-12H2,2-3H3/b14-6+
InChIKeyCKMDKHRFDSCHRW-MKMNVTDBSA-N
XLogP2.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.37
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

4-(2-(Diethylamino)ethoxy)phenylmagnesium bromide
CID 13600839
Magnesium bromide 4-[2-(diethylamino)ethoxy]benzen-1-ide (1/1/1)
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CID 88860280
4-(2-Penta-2,4-dien-2-yloxyethyl)morpholine
CID 91541811
4-(2-Buta-1,3-dien-2-yloxyethyl)morpholine
CID 91550852
4-[3-(4-Methoxyhexa-1,3,5-trien-3-yloxy)propyl]morpholine
CID 123223918
4,5-Dimethyl-6-(2-methylprop-1-enyl)-2,3-dihydro-1,4-oxazine
CID 123257206
3-But-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine
CID 123995320
1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine
CID 134485009
4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine
CID 138716471
1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidine
CID 141973839
4-[2-(4-Methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine
CID 142097272

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine (CID 143052647) is 4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine is C=C/C(=C\C=C(C)C)OCCN1CCOCC1.
What is the InChIKey of 4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine?
The InChIKey is CKMDKHRFDSCHRW-MKMNVTDBSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-14(6-5-13(2)3)17-12-9-15-7-10-16-11-8-15/h4-6H,1,7-12H2,2-3H3/b14-6+.
What are the key properties of 4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine?
4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine has a molecular weight of 237.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine is sourced from PubChem (CID 143052647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).