bis(3-chloro-2-hydroxypropyl)-bis(prop-2-enyl)azanium

C12H22Cl2NO2+ — CID 87240640

IUPACbis(3-chloro-2-hydroxypropyl)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC(O)CCl)CC(O)CCl
InChIInChI=1S/C12H22Cl2NO2/c1-3-5-15(6-4-2,9-11(16)7-13)10-12(17)8-14/h3-4,11-12,16-17H,1-2,5-10H2/q+1
InChIKeyTULZXGFAGWKLAL-UHFFFAOYSA-N
MW283.22 g/mol
LogP1.37
Rot. Bonds10

About bis(3-chloro-2-hydroxypropyl)-bis(prop-2-enyl)azanium

bis(3-chloro-2-hydroxypropyl)-bis(prop-2-enyl)azanium (PubChem CID 87240640) has the molecular formula C12H22Cl2NO2+ and a molecular weight of 283.22 g/mol. Its IUPAC name is bis(3-chloro-2-hydroxypropyl)-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Namebis(3-chloro-2-hydroxypropyl)-bis(prop-2-enyl)azanium
PubChem CID87240640
Molecular FormulaC12H22Cl2NO2+
Molecular Weight283.22 g/mol
Exact Mass282.10
IUPAC Namebis(3-chloro-2-hydroxypropyl)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC(O)CCl)CC(O)CCl
InChIInChI=1S/C12H22Cl2NO2/c1-3-5-15(6-4-2,9-11(16)7-13)10-12(17)8-14/h3-4,11-12,16-17H,1-2,5-10H2/q+1
InChIKeyTULZXGFAGWKLAL-UHFFFAOYSA-N
XLogP1.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxypropyl-tris(prop-2-enyl)azanium
CID 87769825
bis((3-chloro-2-hydroxypropyl)-methyl-bis(prop-2-enyl)azanium);sulfate
CID 139996771
sulfane;tetrakis(prop-2-enyl)azanium
CID 174809251
tetrakis(prop-2-enyl)azanium chloride
CID 11264347
hydron;tetrakis(prop-2-enyl)azanium
CID 87913836
[(2R)-3-chloro-2-hydroxypropyl]-tripropylazanium chloride
CID 139248424
indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride
CID 174555919
hydron;tetrakis(prop-2-enyl)azanium;hydrate
CID 174431949
(3-chloro-2-hydroxypropyl)-diethyl-propylazanium
CID 21189248
azane;(3-chloro-2-hydroxypropyl)-trimethylazanium;chloride;hydrochloride
CID 174761463
ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride
CID 175142733
(3-chloro-2-hydroxypropyl)-tripentylazanium
CID 3026444

Frequently Asked Questions

What is the IUPAC name of bis(3-chloro-2-hydroxypropyl)-bis(prop-2-enyl)azanium?
The IUPAC name of bis(3-chloro-2-hydroxypropyl)-bis(prop-2-enyl)azanium (CID 87240640) is bis(3-chloro-2-hydroxypropyl)-bis(prop-2-enyl)azanium.
What is the SMILES notation for bis(3-chloro-2-hydroxypropyl)-bis(prop-2-enyl)azanium?
The canonical SMILES for bis(3-chloro-2-hydroxypropyl)-bis(prop-2-enyl)azanium is C=CC[N+](CC=C)(CC(O)CCl)CC(O)CCl.
What is the InChIKey of bis(3-chloro-2-hydroxypropyl)-bis(prop-2-enyl)azanium?
The InChIKey is TULZXGFAGWKLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Cl2NO2/c1-3-5-15(6-4-2,9-11(16)7-13)10-12(17)8-14/h3-4,11-12,16-17H,1-2,5-10H2/q+1.
What are the key properties of bis(3-chloro-2-hydroxypropyl)-bis(prop-2-enyl)azanium?
bis(3-chloro-2-hydroxypropyl)-bis(prop-2-enyl)azanium has a molecular weight of 283.22 g/mol, XLogP of 1.37, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloro-2-hydroxypropyl)-bis(prop-2-enyl)azanium is sourced from PubChem (CID 87240640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).