trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride

C9H18ClNO5 — CID 175093627

IUPACtrimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
SMILESC=C(C)C(=O)OC(C)[N+](OC)(OC)OC.[Cl-]
InChIInChI=1S/C9H18NO5.ClH/c1-7(2)9(11)15-8(3)10(12-4,13-5)14-6;/h8H,1H2,2-6H3;1H/q+1;/p-1
InChIKeyRYLYUYFDMMNMGF-UHFFFAOYSA-M
MW255.70 g/mol
LogP-2.04
Rot. Bonds6

About trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride

trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride (PubChem CID 175093627) has the molecular formula C9H18ClNO5 and a molecular weight of 255.70 g/mol. Its IUPAC name is trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride.

Molecular Properties

Compound Nametrimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
PubChem CID175093627
Molecular FormulaC9H18ClNO5
Molecular Weight255.70 g/mol
Exact Mass255.09
IUPAC Nametrimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
SMILESC=C(C)C(=O)OC(C)[N+](OC)(OC)OC.[Cl-]
InChIInChI=1S/C9H18NO5.ClH/c1-7(2)9(11)15-8(3)10(12-4,13-5)14-6;/h8H,1H2,2-6H3;1H/q+1;/p-1
InChIKeyRYLYUYFDMMNMGF-UHFFFAOYSA-M
XLogP-2.04
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 5-2.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 18552290
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 174446040
ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 140517255
trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium
CID 174605040
1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate
CID 174221047
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
dimethoxymethyl 2-methylprop-2-enoate
CID 23110377
dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide
CID 175171875
dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]sulfanium chloride
CID 22062629

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride?
The IUPAC name of trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride (CID 175093627) is trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride.
What is the SMILES notation for trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride?
The canonical SMILES for trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride is C=C(C)C(=O)OC(C)[N+](OC)(OC)OC.[Cl-].
What is the InChIKey of trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride?
The InChIKey is RYLYUYFDMMNMGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18NO5.ClH/c1-7(2)9(11)15-8(3)10(12-4,13-5)14-6;/h8H,1H2,2-6H3;1H/q+1;/p-1.
What are the key properties of trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride?
trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride has a molecular weight of 255.70 g/mol, XLogP of -2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride is sourced from PubChem (CID 175093627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).