dimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride

C14H26ClNO3 — CID 170853127

IUPACdimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride
SMILESC=CC[N+](C)(C)CC=C.C=COC(C)=O.C=C[O-].Cl
InChIInChI=1S/C8H16N.C4H6O2.C2H4O.ClH/c1-5-7-9(3,4)8-6-2;1-3-6-4(2)5;1-2-3;/h5-6H,1-2,7-8H2,3-4H3;3H,1H2,2H3;2-3H,1H2;1H/q+1;;;/p-1
InChIKeyFUGZODCISMOLFV-UHFFFAOYSA-M
MW291.82 g/mol
LogP2.04
Rot. Bonds5

About dimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride

dimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride (PubChem CID 170853127) has the molecular formula C14H26ClNO3 and a molecular weight of 291.82 g/mol. Its IUPAC name is dimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride.

Molecular Properties

Compound Namedimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride
PubChem CID170853127
Molecular FormulaC14H26ClNO3
Molecular Weight291.82 g/mol
Exact Mass291.16
IUPAC Namedimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride
SMILESC=CC[N+](C)(C)CC=C.C=COC(C)=O.C=C[O-].Cl
InChIInChI=1S/C8H16N.C4H6O2.C2H4O.ClH/c1-5-7-9(3,4)8-6-2;1-3-6-4(2)5;1-2-3;/h5-6H,1-2,7-8H2,3-4H3;3H,1H2,2H3;2-3H,1H2;1H/q+1;;;/p-1
InChIKeyFUGZODCISMOLFV-UHFFFAOYSA-M
XLogP2.04
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethenyl acetate
CID 7904
ethenyl acetate;formic acid
CID 175608061
ethanol;ethenyl acetate
CID 87099759
dichloromethane;ethenyl acetate
CID 86614662
ethene;ethenyl acetate;hydrofluoride
CID 158693082
ethenyl acetate;methoxyethene
CID 18921270
ethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride
CID 88696275
ethenyl acetate;ethenyl formate
CID 19370025
dimethyl-bis(prop-2-enyl)azanium nitrate
CID 19988438
CID 22321303
CID 22321303
carbonofluoridic acid;ethenyl acetate
CID 157176220
ethenyl acetate;oxalonitrile
CID 174923759

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride?
The IUPAC name of dimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride (CID 170853127) is dimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride.
What is the SMILES notation for dimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride?
The canonical SMILES for dimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride is C=CC[N+](C)(C)CC=C.C=COC(C)=O.C=C[O-].Cl.
What is the InChIKey of dimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride?
The InChIKey is FUGZODCISMOLFV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N.C4H6O2.C2H4O.ClH/c1-5-7-9(3,4)8-6-2;1-3-6-4(2)5;1-2-3;/h5-6H,1-2,7-8H2,3-4H3;3H,1H2,2H3;2-3H,1H2;1H/q+1;;;/p-1.
What are the key properties of dimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride?
dimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(prop-2-enyl)azanium;ethenolate;ethenyl acetate;hydrochloride is sourced from PubChem (CID 170853127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).