ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride

C14H26ClNO2 — CID 175142733

IUPACethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride
SMILESC=CC[N+](CC=C)(CC=C)CC=C.OCCO.[Cl-]
InChIInChI=1S/C12H20N.C2H6O2.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;3-1-2-4;/h5-8H,1-4,9-12H2;3-4H,1-2H2;1H/q+1;;/p-1
InChIKeyCXBAIYKWJJCMGO-UHFFFAOYSA-M
MW275.82 g/mol
LogP-1.48
Rot. Bonds9

About ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride

ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride (PubChem CID 175142733) has the molecular formula C14H26ClNO2 and a molecular weight of 275.82 g/mol. Its IUPAC name is ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride.

Molecular Properties

Compound Nameethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride
PubChem CID175142733
Molecular FormulaC14H26ClNO2
Molecular Weight275.82 g/mol
Exact Mass275.17
IUPAC Nameethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride
SMILESC=CC[N+](CC=C)(CC=C)CC=C.OCCO.[Cl-]
InChIInChI=1S/C12H20N.C2H6O2.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;3-1-2-4;/h5-8H,1-4,9-12H2;3-4H,1-2H2;1H/q+1;;/p-1
InChIKeyCXBAIYKWJJCMGO-UHFFFAOYSA-M
XLogP-1.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(prop-2-enyl)azanium chloride
CID 11264347
indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride
CID 174555919
sulfane;tetrakis(prop-2-enyl)azanium
CID 174809251
hydron;tetrakis(prop-2-enyl)azanium
CID 87913836
hydron;tetrakis(prop-2-enyl)azanium;hydrate
CID 174431949
tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
CID 139884686
germanium(4+);bis(oxygen(2-));tetrakis(prop-2-enyl)azanium;hydroxide
CID 173450774
but-1-ene;tetrakis(prop-2-enyl)azanium
CID 174931498
3-hydroxyprop-2-enyl-tris(prop-2-enyl)azanium hydroxide
CID 173224489
tris(prop-2-enyl)-[3-[tris(prop-2-enyl)azaniumyl]propyl]azanium dichloride
CID 139884692
tetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium)
CID 173137331
bis(2-hydroxyethyl)-prop-2-enyl-tetradecylazanium chloride
CID 21149748

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride?
The IUPAC name of ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride (CID 175142733) is ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride.
What is the SMILES notation for ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride?
The canonical SMILES for ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride is C=CC[N+](CC=C)(CC=C)CC=C.OCCO.[Cl-].
What is the InChIKey of ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride?
The InChIKey is CXBAIYKWJJCMGO-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H20N.C2H6O2.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;3-1-2-4;/h5-8H,1-4,9-12H2;3-4H,1-2H2;1H/q+1;;/p-1.
What are the key properties of ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride?
ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride has a molecular weight of 275.82 g/mol, XLogP of -1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride is sourced from PubChem (CID 175142733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).