3-hydroxyprop-2-enyl-tris(prop-2-enyl)azanium hydroxide

C12H21NO2 — CID 173224489

IUPAC3-hydroxyprop-2-enyl-tris(prop-2-enyl)azanium hydroxide
SMILESC=CC[N+](CC=C)(CC=C)CC=CO.[OH-]
InChIInChI=1S/C12H19NO.H2O/c1-4-8-13(9-5-2,10-6-3)11-7-12-14;/h4-7,12H,1-3,8-11H2;1H2
InChIKeyDVXZCBGKPAFVHL-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.26
Rot. Bonds8

About 3-hydroxyprop-2-enyl-tris(prop-2-enyl)azanium hydroxide

3-hydroxyprop-2-enyl-tris(prop-2-enyl)azanium hydroxide (PubChem CID 173224489) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-hydroxyprop-2-enyl-tris(prop-2-enyl)azanium hydroxide.

Molecular Properties

Compound Name3-hydroxyprop-2-enyl-tris(prop-2-enyl)azanium hydroxide
PubChem CID173224489
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-hydroxyprop-2-enyl-tris(prop-2-enyl)azanium hydroxide
SMILESC=CC[N+](CC=C)(CC=C)CC=CO.[OH-]
InChIInChI=1S/C12H19NO.H2O/c1-4-8-13(9-5-2,10-6-3)11-7-12-14;/h4-7,12H,1-3,8-11H2;1H2
InChIKeyDVXZCBGKPAFVHL-UHFFFAOYSA-N
XLogP2.26
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

sulfane;tetrakis(prop-2-enyl)azanium
CID 174809251
germanium(4+);bis(oxygen(2-));tetrakis(prop-2-enyl)azanium;hydroxide
CID 173450774
tetrakis(prop-2-enyl)azanium chloride
CID 11264347
hydron;tetrakis(prop-2-enyl)azanium
CID 87913836
hydron;tetrakis(prop-2-enyl)azanium;hydrate
CID 174431949
indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride
CID 174555919
ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride
CID 175142733
but-1-ene;tetrakis(prop-2-enyl)azanium
CID 174931498
tetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium)
CID 173137331
tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
CID 139884686
tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide
CID 54599335
oxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium
CID 174712205

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyprop-2-enyl-tris(prop-2-enyl)azanium hydroxide?
The IUPAC name of 3-hydroxyprop-2-enyl-tris(prop-2-enyl)azanium hydroxide (CID 173224489) is 3-hydroxyprop-2-enyl-tris(prop-2-enyl)azanium hydroxide.
What is the SMILES notation for 3-hydroxyprop-2-enyl-tris(prop-2-enyl)azanium hydroxide?
The canonical SMILES for 3-hydroxyprop-2-enyl-tris(prop-2-enyl)azanium hydroxide is C=CC[N+](CC=C)(CC=C)CC=CO.[OH-].
What is the InChIKey of 3-hydroxyprop-2-enyl-tris(prop-2-enyl)azanium hydroxide?
The InChIKey is DVXZCBGKPAFVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.H2O/c1-4-8-13(9-5-2,10-6-3)11-7-12-14;/h4-7,12H,1-3,8-11H2;1H2.
What are the key properties of 3-hydroxyprop-2-enyl-tris(prop-2-enyl)azanium hydroxide?
3-hydroxyprop-2-enyl-tris(prop-2-enyl)azanium hydroxide has a molecular weight of 211.30 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyprop-2-enyl-tris(prop-2-enyl)azanium hydroxide is sourced from PubChem (CID 173224489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).