propan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride

C9H22ClNO2 — CID 175186062

IUPACpropan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride
SMILESCC(C)O.C[N+](C)(C)CC1CO1.[Cl-]
InChIInChI=1S/C6H14NO.C3H8O.ClH/c1-7(2,3)4-6-5-8-6;1-3(2)4;/h6H,4-5H2,1-3H3;3-4H,1-2H3;1H/q+1;;/p-1
InChIKeyUUGPFWUWOOCSIM-UHFFFAOYSA-M
MW211.73 g/mol
LogP-2.52
Rot. Bonds2

About propan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride

propan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride (PubChem CID 175186062) has the molecular formula C9H22ClNO2 and a molecular weight of 211.73 g/mol. Its IUPAC name is propan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride.

Molecular Properties

Compound Namepropan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride
PubChem CID175186062
Molecular FormulaC9H22ClNO2
Molecular Weight211.73 g/mol
Exact Mass211.13
IUPAC Namepropan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride
SMILESCC(C)O.C[N+](C)(C)CC1CO1.[Cl-]
InChIInChI=1S/C6H14NO.C3H8O.ClH/c1-7(2,3)4-6-5-8-6;1-3(2)4;/h6H,4-5H2,1-3H3;3-4H,1-2H3;1H/q+1;;/p-1
InChIKeyUUGPFWUWOOCSIM-UHFFFAOYSA-M
XLogP-2.52
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.73
LogP ≤ 5-2.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride?
The IUPAC name of propan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride (CID 175186062) is propan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride.
What is the SMILES notation for propan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride?
The canonical SMILES for propan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride is CC(C)O.C[N+](C)(C)CC1CO1.[Cl-].
What is the InChIKey of propan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride?
The InChIKey is UUGPFWUWOOCSIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14NO.C3H8O.ClH/c1-7(2,3)4-6-5-8-6;1-3(2)4;/h6H,4-5H2,1-3H3;3-4H,1-2H3;1H/q+1;;/p-1.
What are the key properties of propan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride?
propan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride has a molecular weight of 211.73 g/mol, XLogP of -2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ol;trimethyl(oxiran-2-ylmethyl)azanium;chloride is sourced from PubChem (CID 175186062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).