(2-ethoxy-2-oxoethyl)-hex-5-enylazanium chloride

C10H20ClNO2 — CID 10867856

IUPAC(2-ethoxy-2-oxoethyl)-hex-5-enylazanium chloride
SMILESC=CCCCC[NH2+]CC(=O)OCC.[Cl-]
InChIInChI=1S/C10H19NO2.ClH/c1-3-5-6-7-8-11-9-10(12)13-4-2;/h3,11H,1,4-9H2,2H3;1H
InChIKeyTWFFYVDQLUVQGL-UHFFFAOYSA-N
MW221.73 g/mol
LogP-2.53
Rot. Bonds8

About (2-ethoxy-2-oxoethyl)-hex-5-enylazanium chloride

(2-ethoxy-2-oxoethyl)-hex-5-enylazanium chloride (PubChem CID 10867856) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl)-hex-5-enylazanium chloride.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl)-hex-5-enylazanium chloride
PubChem CID10867856
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name(2-ethoxy-2-oxoethyl)-hex-5-enylazanium chloride
SMILESC=CCCCC[NH2+]CC(=O)OCC.[Cl-]
InChIInChI=1S/C10H19NO2.ClH/c1-3-5-6-7-8-11-9-10(12)13-4-2;/h3,11H,1,4-9H2,2H3;1H
InChIKeyTWFFYVDQLUVQGL-UHFFFAOYSA-N
XLogP-2.53
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 5-2.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(2,2-difluorohept-6-enylamino)acetate
CID 88267460
ethyl N-(2,7-octadienyl)glycinate
CID 85906188
Ethyl 2-(hex-5-enylamino)acetate
CID 10867857
Ethyl 2-(pent-4-enylamino)acetate
CID 10878349
Ethyl 2-(cyclohex-2-en-1-ylamino)acetate
CID 13474771
ethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)acetate
CID 19070281
Ethyl 2-[(but-3-en-1-yl)amino]acetate
CID 23246216
Methyl 2-(undec-10-enylamino)acetate
CID 57554449
Methyl 2-(pent-4-enylamino)acetate
CID 64315318
Methyl 2-(hex-5-enylamino)acetate
CID 86056437
Tert-butyl 2-(pent-4-enylamino)acetate
CID 86171439
Methyl 2-(oct-7-en-2-ylamino)acetate
CID 88267141

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl)-hex-5-enylazanium chloride?
The IUPAC name of (2-ethoxy-2-oxoethyl)-hex-5-enylazanium chloride (CID 10867856) is (2-ethoxy-2-oxoethyl)-hex-5-enylazanium chloride.
What is the SMILES notation for (2-ethoxy-2-oxoethyl)-hex-5-enylazanium chloride?
The canonical SMILES for (2-ethoxy-2-oxoethyl)-hex-5-enylazanium chloride is C=CCCCC[NH2+]CC(=O)OCC.[Cl-].
What is the InChIKey of (2-ethoxy-2-oxoethyl)-hex-5-enylazanium chloride?
The InChIKey is TWFFYVDQLUVQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-3-5-6-7-8-11-9-10(12)13-4-2;/h3,11H,1,4-9H2,2H3;1H.
What are the key properties of (2-ethoxy-2-oxoethyl)-hex-5-enylazanium chloride?
(2-ethoxy-2-oxoethyl)-hex-5-enylazanium chloride has a molecular weight of 221.73 g/mol, XLogP of -2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl)-hex-5-enylazanium chloride is sourced from PubChem (CID 10867856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).