propan-2-yl hydrogen sulfate;triethyl(methyl)azanium

C10H26NO4S+ — CID 174759318

IUPACpropan-2-yl hydrogen sulfate;triethyl(methyl)azanium
SMILESCC(C)OS(=O)(=O)O.CC[N+](C)(CC)CC
InChIInChI=1S/C7H18N.C3H8O4S/c1-5-8(4,6-2)7-3;1-3(2)7-8(4,5)6/h5-7H2,1-4H3;3H,1-2H3,(H,4,5,6)/q+1;
InChIKeyOUZUGQCTNHNTMK-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.71
Rot. Bonds5

About propan-2-yl hydrogen sulfate;triethyl(methyl)azanium

propan-2-yl hydrogen sulfate;triethyl(methyl)azanium (PubChem CID 174759318) has the molecular formula C10H26NO4S+ and a molecular weight of 256.39 g/mol. Its IUPAC name is propan-2-yl hydrogen sulfate;triethyl(methyl)azanium.

Molecular Properties

Compound Namepropan-2-yl hydrogen sulfate;triethyl(methyl)azanium
PubChem CID174759318
Molecular FormulaC10H26NO4S+
Molecular Weight256.39 g/mol
Exact Mass256.16
IUPAC Namepropan-2-yl hydrogen sulfate;triethyl(methyl)azanium
SMILESCC(C)OS(=O)(=O)O.CC[N+](C)(CC)CC
InChIInChI=1S/C7H18N.C3H8O4S/c1-5-8(4,6-2)7-3;1-3(2)7-8(4,5)6/h5-7H2,1-4H3;3H,1-2H3,(H,4,5,6)/q+1;
InChIKeyOUZUGQCTNHNTMK-UHFFFAOYSA-N
XLogP1.71
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl hydrogen sulfate;zirconium
CID 175368295
guanidine;propan-2-yl hydrogen sulfate
CID 175078270
methanesulfonic acid;triethyl(methyl)azanium
CID 87743130
dimethyl-(1-sulfooxyethyl)-tetradecylazanium chloride
CID 88632022
pentan-2-yl hydrogen sulfate
CID 23335662
ethyl-oxo-(1-sulfooxyethyl)phosphanium
CID 139581741
3-methylbutan-2-yl hydrogen sulfate
CID 87155723
1-sulfooxypropane-1-sulfonic acid
CID 87984449
1-chloropropyl hydrogen sulfate
CID 21327629
propan-2-yloxysulfonylmethanesulfonic acid
CID 151617954
dimethyl-propan-2-yl-(2-sulfooxyethyl)azanium
CID 59371914
4,6,8-trimethylnonan-2-yl hydrogen sulfate
CID 57244252

Frequently Asked Questions

What is the IUPAC name of propan-2-yl hydrogen sulfate;triethyl(methyl)azanium?
The IUPAC name of propan-2-yl hydrogen sulfate;triethyl(methyl)azanium (CID 174759318) is propan-2-yl hydrogen sulfate;triethyl(methyl)azanium.
What is the SMILES notation for propan-2-yl hydrogen sulfate;triethyl(methyl)azanium?
The canonical SMILES for propan-2-yl hydrogen sulfate;triethyl(methyl)azanium is CC(C)OS(=O)(=O)O.CC[N+](C)(CC)CC.
What is the InChIKey of propan-2-yl hydrogen sulfate;triethyl(methyl)azanium?
The InChIKey is OUZUGQCTNHNTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N.C3H8O4S/c1-5-8(4,6-2)7-3;1-3(2)7-8(4,5)6/h5-7H2,1-4H3;3H,1-2H3,(H,4,5,6)/q+1;.
What are the key properties of propan-2-yl hydrogen sulfate;triethyl(methyl)azanium?
propan-2-yl hydrogen sulfate;triethyl(methyl)azanium has a molecular weight of 256.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl hydrogen sulfate;triethyl(methyl)azanium is sourced from PubChem (CID 174759318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).