methyl butanoate;tetrahydrochloride

C5H14Cl4O2 — CID 173289582

IUPACmethyl butanoate;tetrahydrochloride
SMILESCCCC(=O)OC.Cl.Cl.Cl.Cl
InChIInChI=1S/C5H10O2.4ClH/c1-3-4-5(6)7-2;;;;/h3-4H2,1-2H3;4*1H
InChIKeyODCPLIHBAQUQER-UHFFFAOYSA-N
MW247.98 g/mol
LogP2.65
Rot. Bonds2

About methyl butanoate;tetrahydrochloride

methyl butanoate;tetrahydrochloride (PubChem CID 173289582) has the molecular formula C5H14Cl4O2 and a molecular weight of 247.98 g/mol. Its IUPAC name is methyl butanoate;tetrahydrochloride.

Molecular Properties

Compound Namemethyl butanoate;tetrahydrochloride
PubChem CID173289582
Molecular FormulaC5H14Cl4O2
Molecular Weight247.98 g/mol
Exact Mass245.97
IUPAC Namemethyl butanoate;tetrahydrochloride
SMILESCCCC(=O)OC.Cl.Cl.Cl.Cl
InChIInChI=1S/C5H10O2.4ClH/c1-3-4-5(6)7-2;;;;/h3-4H2,1-2H3;4*1H
InChIKeyODCPLIHBAQUQER-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.98
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

chromium;methyl butanoate
CID 174781983
CID 171374935
CID 171374935
butan-2-ol;methyl butanoate;hydrochloride
CID 157406696
2,3-dihydroxybutanedioic acid;methyl butanoate
CID 174661800
methyl heptanoate;dihydrochloride
CID 140971064
methyl nonanoate;hydrochloride
CID 141151355
dimethyl pentanedioate;hydrochloride
CID 175168861
2-hydroxyethyl(trimethyl)azanium;methyl butanoate
CID 174782321
methyl butanoate;2-methylbutanoic acid
CID 87240757
ethyl hydrogen sulfate;methyl butanoate
CID 87354898
hydrazine;methyl pentanoate
CID 88709772
methyl heptadecanoate
CID 15609

Frequently Asked Questions

What is the IUPAC name of methyl butanoate;tetrahydrochloride?
The IUPAC name of methyl butanoate;tetrahydrochloride (CID 173289582) is methyl butanoate;tetrahydrochloride.
What is the SMILES notation for methyl butanoate;tetrahydrochloride?
The canonical SMILES for methyl butanoate;tetrahydrochloride is CCCC(=O)OC.Cl.Cl.Cl.Cl.
What is the InChIKey of methyl butanoate;tetrahydrochloride?
The InChIKey is ODCPLIHBAQUQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.4ClH/c1-3-4-5(6)7-2;;;;/h3-4H2,1-2H3;4*1H.
What are the key properties of methyl butanoate;tetrahydrochloride?
methyl butanoate;tetrahydrochloride has a molecular weight of 247.98 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl butanoate;tetrahydrochloride is sourced from PubChem (CID 173289582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).