4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine

C18H32ClNO — CID 154986326

IUPAC4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine
SMILESCCCCC/C=C(/CCl)CC/C=C(/C)CN1CCOCC1
InChIInChI=1S/C18H32ClNO/c1-3-4-5-6-9-18(15-19)10-7-8-17(2)16-20-11-13-21-14-12-20/h8-9H,3-7,10-16H2,1-2H3/b17-8-,18-9+
InChIKeyODMHJLLOIYGQBJ-IADIARBNSA-N
MW313.91 g/mol
LogP4.79
Rot. Bonds10

About 4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine

4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine (PubChem CID 154986326) has the molecular formula C18H32ClNO and a molecular weight of 313.91 g/mol. Its IUPAC name is 4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine.

Molecular Properties

Compound Name4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine
PubChem CID154986326
Molecular FormulaC18H32ClNO
Molecular Weight313.91 g/mol
Exact Mass313.22
IUPAC Name4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine
SMILESCCCCC/C=C(/CCl)CC/C=C(/C)CN1CCOCC1
InChIInChI=1S/C18H32ClNO/c1-3-4-5-6-9-18(15-19)10-7-8-17(2)16-20-11-13-21-14-12-20/h8-9H,3-7,10-16H2,1-2H3/b17-8-,18-9+
InChIKeyODMHJLLOIYGQBJ-IADIARBNSA-N
XLogP4.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.91
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine with MolForge

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Related Compounds

lithium 4-[(2Z,6Z)-6-methanidyl-2-methyldodeca-2,6-dienyl]morpholine
CID 156682915
1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine
CID 155617676
3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol
CID 54272275
1-[(E)-2-methylnon-2-enyl]piperidine
CID 10966138
1-[(2Z,6E,9E,13Z)-6-hexylidene-10-(iodomethyl)-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methyl-1,4-diazepane
CID 170054378
4-[(Z)-non-2-enyl]morpholine
CID 101051916
2-morpholin-4-ylundec-2-en-6-one
CID 57160366
4-methylhexadec-4-ene
CID 174447790
(E)-9-methylnonadec-9-ene
CID 14783585
6-methyldocos-6-ene
CID 629460
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine?
The IUPAC name of 4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine (CID 154986326) is 4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine.
What is the SMILES notation for 4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine?
The canonical SMILES for 4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine is CCCCC/C=C(/CCl)CC/C=C(/C)CN1CCOCC1.
What is the InChIKey of 4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine?
The InChIKey is ODMHJLLOIYGQBJ-IADIARBNSA-N. The full InChI is InChI=1S/C18H32ClNO/c1-3-4-5-6-9-18(15-19)10-7-8-17(2)16-20-11-13-21-14-12-20/h8-9H,3-7,10-16H2,1-2H3/b17-8-,18-9+.
What are the key properties of 4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine?
4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine has a molecular weight of 313.91 g/mol, XLogP of 4.79, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine is sourced from PubChem (CID 154986326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).