4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine

C17H29NO2 — CID 143093213

IUPAC4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine
SMILESC/C=C(C)\C=C/C(=C/CCC)OCCN1CCOCC1
InChIInChI=1S/C17H29NO2/c1-4-6-7-17(9-8-16(3)5-2)20-15-12-18-10-13-19-14-11-18/h5,7-9H,4,6,10-15H2,1-3H3/b9-8-,16-5-,17-7-
InChIKeyLOTZJYFMRMUKOU-BLISAZTKSA-N
MW279.42 g/mol
LogP3.54
Rot. Bonds8

About 4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine

4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine (PubChem CID 143093213) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine
PubChem CID143093213
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine
SMILESC/C=C(C)\C=C/C(=C/CCC)OCCN1CCOCC1
InChIInChI=1S/C17H29NO2/c1-4-6-7-17(9-8-16(3)5-2)20-15-12-18-10-13-19-14-11-18/h5,7-9H,4,6,10-15H2,1-3H3/b9-8-,16-5-,17-7-
InChIKeyLOTZJYFMRMUKOU-BLISAZTKSA-N
XLogP3.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.54
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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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine (CID 143093213) is 4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine is C/C=C(C)\C=C/C(=C/CCC)OCCN1CCOCC1.
What is the InChIKey of 4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine?
The InChIKey is LOTZJYFMRMUKOU-BLISAZTKSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-6-7-17(9-8-16(3)5-2)20-15-12-18-10-13-19-14-11-18/h5,7-9H,4,6,10-15H2,1-3H3/b9-8-,16-5-,17-7-.
What are the key properties of 4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine?
4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine has a molecular weight of 279.42 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine is sourced from PubChem (CID 143093213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).