butanoate;carbanide;chromium(3+)

C9H17CrO4 — CID 158360920

IUPACbutanoate;carbanide;chromium(3+)
SMILESCCCC(=O)[O-].CCCC(=O)[O-].[CH3-].[Cr+3]
InChIInChI=1S/2C4H8O2.CH3.Cr/c2*1-2-3-4(5)6;;/h2*2-3H2,1H3,(H,5,6);1H3;/q;;-1;+3/p-2
InChIKeyGTLOYXHKYCMRKD-UHFFFAOYSA-L
MW241.23 g/mol
LogP-0.48
Rot. Bonds4

About butanoate;carbanide;chromium(3+)

butanoate;carbanide;chromium(3+) (PubChem CID 158360920) has the molecular formula C9H17CrO4 and a molecular weight of 241.23 g/mol. Its IUPAC name is butanoate;carbanide;chromium(3+).

Molecular Properties

Compound Namebutanoate;carbanide;chromium(3+)
PubChem CID158360920
Molecular FormulaC9H17CrO4
Molecular Weight241.23 g/mol
Exact Mass241.05
IUPAC Namebutanoate;carbanide;chromium(3+)
SMILESCCCC(=O)[O-].CCCC(=O)[O-].[CH3-].[Cr+3]
InChIInChI=1S/2C4H8O2.CH3.Cr/c2*1-2-3-4(5)6;;/h2*2-3H2,1H3,(H,5,6);1H3;/q;;-1;+3/p-2
InChIKeyGTLOYXHKYCMRKD-UHFFFAOYSA-L
XLogP-0.48
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

butanoate;ytterbium(2+)
CID 88777454
silver butanoate
CID 14944495
tetrapotassium;butanoate
CID 140982885
strontium butanoate
CID 19035288
butanoate;bis(rhodium(3+))
CID 173415846
butanoate;tin(4+)
CID 159447903
potassium butanoate
CID 23677461
magnesium butanoate
CID 6453218
disodium;butanoate;hydroxide
CID 173219323
butanoate;silicon(4+);titanium(4+)
CID 158800899
butanoate;titanium(2+);acetate
CID 87845450
butanoate;titanium(4+);acetate
CID 159866524

Frequently Asked Questions

What is the IUPAC name of butanoate;carbanide;chromium(3+)?
The IUPAC name of butanoate;carbanide;chromium(3+) (CID 158360920) is butanoate;carbanide;chromium(3+).
What is the SMILES notation for butanoate;carbanide;chromium(3+)?
The canonical SMILES for butanoate;carbanide;chromium(3+) is CCCC(=O)[O-].CCCC(=O)[O-].[CH3-].[Cr+3].
What is the InChIKey of butanoate;carbanide;chromium(3+)?
The InChIKey is GTLOYXHKYCMRKD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H8O2.CH3.Cr/c2*1-2-3-4(5)6;;/h2*2-3H2,1H3,(H,5,6);1H3;/q;;-1;+3/p-2.
What are the key properties of butanoate;carbanide;chromium(3+)?
butanoate;carbanide;chromium(3+) has a molecular weight of 241.23 g/mol, XLogP of -0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanoate;carbanide;chromium(3+) is sourced from PubChem (CID 158360920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).