4-[2-[(2Z,4Z)-4-(2-methylpropyl)hepta-2,4,6-trienoxy]ethyl]morpholine

C17H29NO2 — CID 142259012

IUPAC4-[2-[(2Z,4Z)-4-(2-methylpropyl)hepta-2,4,6-trienoxy]ethyl]morpholine
SMILESC=C/C=C(\C=C/COCCN1CCOCC1)CC(C)C
InChIInChI=1S/C17H29NO2/c1-4-6-17(15-16(2)3)7-5-11-19-12-8-18-9-13-20-14-10-18/h4-7,16H,1,8-15H2,2-3H3/b7-5-,17-6+
InChIKeyCQRREBGFNJNSRQ-APZVSDDJSA-N
MW279.42 g/mol
LogP3.05
Rot. Bonds9

About 4-[2-[(2Z,4Z)-4-(2-methylpropyl)hepta-2,4,6-trienoxy]ethyl]morpholine

4-[2-[(2Z,4Z)-4-(2-methylpropyl)hepta-2,4,6-trienoxy]ethyl]morpholine (PubChem CID 142259012) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-[2-[(2Z,4Z)-4-(2-methylpropyl)hepta-2,4,6-trienoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(2Z,4Z)-4-(2-methylpropyl)hepta-2,4,6-trienoxy]ethyl]morpholine
PubChem CID142259012
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-[2-[(2Z,4Z)-4-(2-methylpropyl)hepta-2,4,6-trienoxy]ethyl]morpholine
SMILESC=C/C=C(\C=C/COCCN1CCOCC1)CC(C)C
InChIInChI=1S/C17H29NO2/c1-4-6-17(15-16(2)3)7-5-11-19-12-8-18-9-13-20-14-10-18/h4-7,16H,1,8-15H2,2-3H3/b7-5-,17-6+
InChIKeyCQRREBGFNJNSRQ-APZVSDDJSA-N
XLogP3.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[2-[(2Z,4Z)-4-(2-methylpropyl)hepta-2,4,6-trienoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[(2Z,4Z)-4-(2-methylpropyl)hepta-2,4,6-trienoxy]ethyl]morpholine (CID 142259012) is 4-[2-[(2Z,4Z)-4-(2-methylpropyl)hepta-2,4,6-trienoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(2Z,4Z)-4-(2-methylpropyl)hepta-2,4,6-trienoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[(2Z,4Z)-4-(2-methylpropyl)hepta-2,4,6-trienoxy]ethyl]morpholine is C=C/C=C(\C=C/COCCN1CCOCC1)CC(C)C.
What is the InChIKey of 4-[2-[(2Z,4Z)-4-(2-methylpropyl)hepta-2,4,6-trienoxy]ethyl]morpholine?
The InChIKey is CQRREBGFNJNSRQ-APZVSDDJSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-6-17(15-16(2)3)7-5-11-19-12-8-18-9-13-20-14-10-18/h4-7,16H,1,8-15H2,2-3H3/b7-5-,17-6+.
What are the key properties of 4-[2-[(2Z,4Z)-4-(2-methylpropyl)hepta-2,4,6-trienoxy]ethyl]morpholine?
4-[2-[(2Z,4Z)-4-(2-methylpropyl)hepta-2,4,6-trienoxy]ethyl]morpholine has a molecular weight of 279.42 g/mol, XLogP of 3.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2Z,4Z)-4-(2-methylpropyl)hepta-2,4,6-trienoxy]ethyl]morpholine is sourced from PubChem (CID 142259012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).