4-[3-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]oxypropyl]morpholine

C16H27NO2 — CID 143407616

IUPAC4-[3-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]oxypropyl]morpholine
SMILESC/C=C\C=C/C(=C\CC)OCCCN1CCOCC1
InChIInChI=1S/C16H27NO2/c1-3-5-6-9-16(8-4-2)19-13-7-10-17-11-14-18-15-12-17/h3,5-6,8-9H,4,7,10-15H2,1-2H3/b5-3-,9-6-,16-8+
InChIKeyVPZQUMKUJRSFKJ-JLDROCMUSA-N
MW265.40 g/mol
LogP3.15
Rot. Bonds8

About 4-[3-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]oxypropyl]morpholine

4-[3-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]oxypropyl]morpholine (PubChem CID 143407616) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[3-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]oxypropyl]morpholine
PubChem CID143407616
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-[3-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]oxypropyl]morpholine
SMILESC/C=C\C=C/C(=C\CC)OCCCN1CCOCC1
InChIInChI=1S/C16H27NO2/c1-3-5-6-9-16(8-4-2)19-13-7-10-17-11-14-18-15-12-17/h3,5-6,8-9H,4,7,10-15H2,1-2H3/b5-3-,9-6-,16-8+
InChIKeyVPZQUMKUJRSFKJ-JLDROCMUSA-N
XLogP3.15
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]oxypropyl]morpholine (CID 143407616) is 4-[3-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]oxypropyl]morpholine is C/C=C\C=C/C(=C\CC)OCCCN1CCOCC1.
What is the InChIKey of 4-[3-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]oxypropyl]morpholine?
The InChIKey is VPZQUMKUJRSFKJ-JLDROCMUSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-5-6-9-16(8-4-2)19-13-7-10-17-11-14-18-15-12-17/h3,5-6,8-9H,4,7,10-15H2,1-2H3/b5-3-,9-6-,16-8+.
What are the key properties of 4-[3-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]oxypropyl]morpholine?
4-[3-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]oxypropyl]morpholine has a molecular weight of 265.40 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3E,5Z,7Z)-nona-3,5,7-trien-4-yl]oxypropyl]morpholine is sourced from PubChem (CID 143407616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).