decyl 2-[4-(2-morpholin-4-ylethyl)morpholin-4-ium-4-yl]acetate chloride

C22H43ClN2O4 — CID 44654754

IUPACdecyl 2-[4-(2-morpholin-4-ylethyl)morpholin-4-ium-4-yl]acetate chloride
SMILESCCCCCCCCCCOC(=O)C[N+]1(CCN2CCOCC2)CCOCC1.[Cl-]
InChIInChI=1S/C22H43N2O4.ClH/c1-2-3-4-5-6-7-8-9-16-28-22(25)21-24(14-19-27-20-15-24)13-10-23-11-17-26-18-12-23;/h2-21H2,1H3;1H/q+1;/p-1
InChIKeyBZCRFDDRQWXLCV-UHFFFAOYSA-M
MW435.05 g/mol
LogP-0.15
Rot. Bonds14

About decyl 2-[4-(2-morpholin-4-ylethyl)morpholin-4-ium-4-yl]acetate chloride

decyl 2-[4-(2-morpholin-4-ylethyl)morpholin-4-ium-4-yl]acetate chloride (PubChem CID 44654754) has the molecular formula C22H43ClN2O4 and a molecular weight of 435.05 g/mol. Its IUPAC name is decyl 2-[4-(2-morpholin-4-ylethyl)morpholin-4-ium-4-yl]acetate chloride.

Molecular Properties

Compound Namedecyl 2-[4-(2-morpholin-4-ylethyl)morpholin-4-ium-4-yl]acetate chloride
PubChem CID44654754
Molecular FormulaC22H43ClN2O4
Molecular Weight435.05 g/mol
Exact Mass434.29
IUPAC Namedecyl 2-[4-(2-morpholin-4-ylethyl)morpholin-4-ium-4-yl]acetate chloride
SMILESCCCCCCCCCCOC(=O)C[N+]1(CCN2CCOCC2)CCOCC1.[Cl-]
InChIInChI=1S/C22H43N2O4.ClH/c1-2-3-4-5-6-7-8-9-16-28-22(25)21-24(14-19-27-20-15-24)13-10-23-11-17-26-18-12-23;/h2-21H2,1H3;1H/q+1;/p-1
InChIKeyBZCRFDDRQWXLCV-UHFFFAOYSA-M
XLogP-0.15
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.05
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tetradecyl 3-morpholin-4-ylpropanoate
CID 59204007
2-morpholin-4-ylethyl octanoate
CID 23118480
4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate
CID 71711808
hexadecyl N-(3-morpholin-4-ylpropyl)carbamate
CID 18968646
4-hexylmorpholine
CID 3614751
undecyl 2-morpholin-4-yl-2-oxoacetate
CID 6422264
octyl 2-morpholin-4-yl-2-oxoacetate
CID 6422272
2-(4-hexadecylmorpholin-4-ium-4-yl)acetic acid
CID 58880786
4-(2-hexoxyethyl)morpholine
CID 3326674
butane;1-O-heptyl 3-O-morpholin-4-yl propanedioate
CID 67683547
1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate
CID 67760616
dodecyl 3-piperidin-1-ylpropanoate
CID 91554899

Frequently Asked Questions

What is the IUPAC name of decyl 2-[4-(2-morpholin-4-ylethyl)morpholin-4-ium-4-yl]acetate chloride?
The IUPAC name of decyl 2-[4-(2-morpholin-4-ylethyl)morpholin-4-ium-4-yl]acetate chloride (CID 44654754) is decyl 2-[4-(2-morpholin-4-ylethyl)morpholin-4-ium-4-yl]acetate chloride.
What is the SMILES notation for decyl 2-[4-(2-morpholin-4-ylethyl)morpholin-4-ium-4-yl]acetate chloride?
The canonical SMILES for decyl 2-[4-(2-morpholin-4-ylethyl)morpholin-4-ium-4-yl]acetate chloride is CCCCCCCCCCOC(=O)C[N+]1(CCN2CCOCC2)CCOCC1.[Cl-].
What is the InChIKey of decyl 2-[4-(2-morpholin-4-ylethyl)morpholin-4-ium-4-yl]acetate chloride?
The InChIKey is BZCRFDDRQWXLCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H43N2O4.ClH/c1-2-3-4-5-6-7-8-9-16-28-22(25)21-24(14-19-27-20-15-24)13-10-23-11-17-26-18-12-23;/h2-21H2,1H3;1H/q+1;/p-1.
What are the key properties of decyl 2-[4-(2-morpholin-4-ylethyl)morpholin-4-ium-4-yl]acetate chloride?
decyl 2-[4-(2-morpholin-4-ylethyl)morpholin-4-ium-4-yl]acetate chloride has a molecular weight of 435.05 g/mol, XLogP of -0.15, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-[4-(2-morpholin-4-ylethyl)morpholin-4-ium-4-yl]acetate chloride is sourced from PubChem (CID 44654754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).