trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium chloride

C8H18ClNO2 — CID 11971658

IUPACtrimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium chloride
SMILESCC1OCC(C[N+](C)(C)C)O1.[Cl-]
InChIInChI=1S/C8H18NO2.ClH/c1-7-10-6-8(11-7)5-9(2,3)4;/h7-8H,5-6H2,1-4H3;1H/q+1;/p-1
InChIKeySLKQVBSSOGUUIO-UHFFFAOYSA-M
MW195.69 g/mol
LogP-2.54
Rot. Bonds2

About trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium chloride

trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium chloride (PubChem CID 11971658) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium chloride
PubChem CID11971658
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Nametrimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium chloride
SMILESCC1OCC(C[N+](C)(C)C)O1.[Cl-]
InChIInChI=1S/C8H18NO2.ClH/c1-7-10-6-8(11-7)5-9(2,3)4;/h7-8H,5-6H2,1-4H3;1H/q+1;/p-1
InChIKeySLKQVBSSOGUUIO-UHFFFAOYSA-M
XLogP-2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 5-2.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium chloride?
The IUPAC name of trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium chloride (CID 11971658) is trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium chloride.
What is the SMILES notation for trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium chloride?
The canonical SMILES for trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium chloride is CC1OCC(C[N+](C)(C)C)O1.[Cl-].
What is the InChIKey of trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium chloride?
The InChIKey is SLKQVBSSOGUUIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18NO2.ClH/c1-7-10-6-8(11-7)5-9(2,3)4;/h7-8H,5-6H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium chloride?
trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium chloride has a molecular weight of 195.69 g/mol, XLogP of -2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium chloride is sourced from PubChem (CID 11971658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).