2-chloro-3-methyloxirane;triethyl(2-hydroxypropyl)azanium

C12H27ClNO2+ — CID 174978465

IUPAC2-chloro-3-methyloxirane;triethyl(2-hydroxypropyl)azanium
SMILESCC1OC1Cl.CC[N+](CC)(CC)CC(C)O
InChIInChI=1S/C9H22NO.C3H5ClO/c1-5-10(6-2,7-3)8-9(4)11;1-2-3(4)5-2/h9,11H,5-8H2,1-4H3;2-3H,1H3/q+1;
InChIKeyDONHJRWEXMQGRI-UHFFFAOYSA-N
MW252.81 g/mol
LogP2.21
Rot. Bonds5

About 2-chloro-3-methyloxirane;triethyl(2-hydroxypropyl)azanium

2-chloro-3-methyloxirane;triethyl(2-hydroxypropyl)azanium (PubChem CID 174978465) has the molecular formula C12H27ClNO2+ and a molecular weight of 252.81 g/mol. Its IUPAC name is 2-chloro-3-methyloxirane;triethyl(2-hydroxypropyl)azanium.

Molecular Properties

Compound Name2-chloro-3-methyloxirane;triethyl(2-hydroxypropyl)azanium
PubChem CID174978465
Molecular FormulaC12H27ClNO2+
Molecular Weight252.81 g/mol
Exact Mass252.17
IUPAC Name2-chloro-3-methyloxirane;triethyl(2-hydroxypropyl)azanium
SMILESCC1OC1Cl.CC[N+](CC)(CC)CC(C)O
InChIInChI=1S/C9H22NO.C3H5ClO/c1-5-10(6-2,7-3)8-9(4)11;1-2-3(4)5-2/h9,11H,5-8H2,1-4H3;2-3H,1H3/q+1;
InChIKeyDONHJRWEXMQGRI-UHFFFAOYSA-N
XLogP2.21
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.81
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-methyloxirane;methanol
CID 174638567
propane-1,2-diol;tetraethylazanium;hydroxide
CID 175392137
2-chloro-3-methyloxirane;hydrazine
CID 157079115
3-chlorododecyl-diethyl-(2-hydroxypropyl)azanium chloride
CID 87350362
3-chloroicosyl-diethyl-(2-hydroxypropyl)azanium chloride
CID 174608447
diethyl-bis(2-methylpropyl)azanium;hafnium
CID 174652205
triethyl(2-hydroxypropyl)azanium;benzoate;hydrochloride
CID 20833865
chloro hypochlorite;2-chloro-3-methyloxirane
CID 174858426
(3-chloro-2-hydroxypropyl)-diethyl-propylazanium
CID 21189248
(2-amino-2-chloroethyl)-triethylazanium
CID 57223153
tribenzyl(2-hydroxypropyl)azanium
CID 58570197
hydroxylamine;tetraethylazanium;hydrate
CID 174752646

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyloxirane;triethyl(2-hydroxypropyl)azanium?
The IUPAC name of 2-chloro-3-methyloxirane;triethyl(2-hydroxypropyl)azanium (CID 174978465) is 2-chloro-3-methyloxirane;triethyl(2-hydroxypropyl)azanium.
What is the SMILES notation for 2-chloro-3-methyloxirane;triethyl(2-hydroxypropyl)azanium?
The canonical SMILES for 2-chloro-3-methyloxirane;triethyl(2-hydroxypropyl)azanium is CC1OC1Cl.CC[N+](CC)(CC)CC(C)O.
What is the InChIKey of 2-chloro-3-methyloxirane;triethyl(2-hydroxypropyl)azanium?
The InChIKey is DONHJRWEXMQGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO.C3H5ClO/c1-5-10(6-2,7-3)8-9(4)11;1-2-3(4)5-2/h9,11H,5-8H2,1-4H3;2-3H,1H3/q+1;.
What are the key properties of 2-chloro-3-methyloxirane;triethyl(2-hydroxypropyl)azanium?
2-chloro-3-methyloxirane;triethyl(2-hydroxypropyl)azanium has a molecular weight of 252.81 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyloxirane;triethyl(2-hydroxypropyl)azanium is sourced from PubChem (CID 174978465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).