chromium;methyl butanoate

C5H10CrO2 — CID 174781983

IUPACchromium;methyl butanoate
SMILESCCCC(=O)OC.[Cr]
InChIInChI=1S/C5H10O2.Cr/c1-3-4-5(6)7-2;/h3-4H2,1-2H3;
InChIKeyAEUDPQAHWDNAHC-UHFFFAOYSA-N
MW154.13 g/mol
LogP0.96
Rot. Bonds2

About chromium;methyl butanoate

chromium;methyl butanoate (PubChem CID 174781983) has the molecular formula C5H10CrO2 and a molecular weight of 154.13 g/mol. Its IUPAC name is chromium;methyl butanoate.

Molecular Properties

Compound Namechromium;methyl butanoate
PubChem CID174781983
Molecular FormulaC5H10CrO2
Molecular Weight154.13 g/mol
Exact Mass154.01
IUPAC Namechromium;methyl butanoate
SMILESCCCC(=O)OC.[Cr]
InChIInChI=1S/C5H10O2.Cr/c1-3-4-5(6)7-2;/h3-4H2,1-2H3;
InChIKeyAEUDPQAHWDNAHC-UHFFFAOYSA-N
XLogP0.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl butanoate;tetrahydrochloride
CID 173289582
CID 171374935
CID 171374935
butan-2-ol;methyl butanoate;hydrochloride
CID 157406696
2,3-dihydroxybutanedioic acid;methyl butanoate
CID 174661800
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
methyl heptanoate
CID 7826
ethane;methyl hexanoate
CID 159004993
methyl octadecanoate;methyl octanoate
CID 157178883

Frequently Asked Questions

What is the IUPAC name of chromium;methyl butanoate?
The IUPAC name of chromium;methyl butanoate (CID 174781983) is chromium;methyl butanoate.
What is the SMILES notation for chromium;methyl butanoate?
The canonical SMILES for chromium;methyl butanoate is CCCC(=O)OC.[Cr].
What is the InChIKey of chromium;methyl butanoate?
The InChIKey is AEUDPQAHWDNAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.Cr/c1-3-4-5(6)7-2;/h3-4H2,1-2H3;.
What are the key properties of chromium;methyl butanoate?
chromium;methyl butanoate has a molecular weight of 154.13 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;methyl butanoate is sourced from PubChem (CID 174781983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).