4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine

C15H25NO2 — CID 142097269

IUPAC4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine
SMILESC/C1=C/CCC(OCCN2CCOCC2)/C=C\C1
InChIInChI=1S/C15H25NO2/c1-14-4-2-6-15(7-3-5-14)18-13-10-16-8-11-17-12-9-16/h2,5-6,15H,3-4,7-13H2,1H3/b6-2-,14-5-
InChIKeyNQVKGNUUQRVQHK-IYKXSBQZSA-N
MW251.37 g/mol
LogP2.39
Rot. Bonds4

About 4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine

4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine (PubChem CID 142097269) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine
PubChem CID142097269
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine
SMILESC/C1=C/CCC(OCCN2CCOCC2)/C=C\C1
InChIInChI=1S/C15H25NO2/c1-14-4-2-6-15(7-3-5-14)18-13-10-16-8-11-17-12-9-16/h2,5-6,15H,3-4,7-13H2,1H3/b6-2-,14-5-
InChIKeyNQVKGNUUQRVQHK-IYKXSBQZSA-N
XLogP2.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine with MolForge

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Related Compounds

4-[2-[4-(Difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine
CID 163636515
(4-Allyl-2,5-dihydrofuran-2-yl)morpholine
CID 129792981
[4-(1-Buten-3-yl)-2,5-dihydrofuran-2-yl]morpholine
CID 129800250
4-(2-Cyclohexa-2,5-dien-1-yloxyethyl)morpholine
CID 57109270
4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine
CID 59434655
4-Methyl-2-oct-2-en-2-ylmorpholine
CID 70610956
4-[2-(5-Methylhex-2-enoxy)ethyl]morpholine
CID 72298043
4-[2-[1-(2-Methoxycyclohexa-1,5-dien-1-yl)ethoxy]ethyl]morpholine
CID 89688793
4-(2-Pent-2-enoxyethyl)morpholine
CID 91107015
4-Methyl-2-(3-methylbut-1-enyl)morpholine
CID 91270593
4-[2-[(E)-pent-2-enoxy]ethyl]morpholine
CID 126724406
4-[2-[(E)-hex-2-enoxy]ethyl]morpholine
CID 126724688

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine (CID 142097269) is 4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine is C/C1=C/CCC(OCCN2CCOCC2)/C=C\C1.
What is the InChIKey of 4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine?
The InChIKey is NQVKGNUUQRVQHK-IYKXSBQZSA-N. The full InChI is InChI=1S/C15H25NO2/c1-14-4-2-6-15(7-3-5-14)18-13-10-16-8-11-17-12-9-16/h2,5-6,15H,3-4,7-13H2,1H3/b6-2-,14-5-.
What are the key properties of 4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine?
4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine has a molecular weight of 251.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2Z,5Z)-5-methylcycloocta-2,5-dien-1-yl]oxyethyl]morpholine is sourced from PubChem (CID 142097269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).