chromium;4-methylsulfonyloxybutyl methanesulfonate

C6H14CrO6S2 — CID 174784786

IUPACchromium;4-methylsulfonyloxybutyl methanesulfonate
SMILESCS(=O)(=O)OCCCCOS(C)(=O)=O.[Cr]
InChIInChI=1S/C6H14O6S2.Cr/c1-13(7,8)11-5-3-4-6-12-14(2,9)10;/h3-6H2,1-2H3;
InChIKeyGIAGIBMKOORRKB-UHFFFAOYSA-N
MW298.30 g/mol
LogP-0.28
Rot. Bonds7

About chromium;4-methylsulfonyloxybutyl methanesulfonate

chromium;4-methylsulfonyloxybutyl methanesulfonate (PubChem CID 174784786) has the molecular formula C6H14CrO6S2 and a molecular weight of 298.30 g/mol. Its IUPAC name is chromium;4-methylsulfonyloxybutyl methanesulfonate.

Molecular Properties

Compound Namechromium;4-methylsulfonyloxybutyl methanesulfonate
PubChem CID174784786
Molecular FormulaC6H14CrO6S2
Molecular Weight298.30 g/mol
Exact Mass297.96
IUPAC Namechromium;4-methylsulfonyloxybutyl methanesulfonate
SMILESCS(=O)(=O)OCCCCOS(C)(=O)=O.[Cr]
InChIInChI=1S/C6H14O6S2.Cr/c1-13(7,8)11-5-3-4-6-12-14(2,9)10;/h3-6H2,1-2H3;
InChIKeyGIAGIBMKOORRKB-UHFFFAOYSA-N
XLogP-0.28
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze chromium;4-methylsulfonyloxybutyl methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;pentyl methanesulfonate
CID 158804088
5-hydroxypentyl methanesulfonate
CID 19894604
3-methoxypropyl methanesulfonate
CID 11693963
8-ethoxyoctyl methanesulfonate
CID 139711328
9-(methylamino)nonyl methanesulfonate
CID 122424861
6-methylheptyl methanesulfonate
CID 59379076
dec-9-ynyl methanesulfonate
CID 121216247
azane;N,N-dimethylmethanamine;octadecyl methanesulfonate
CID 174627286
3-(3-methylsulfonyloxypropylamino)propyl methanesulfonate;hydrochloride
CID 5284401
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;4-methylsulfonyloxybutyl methanesulfonate
CID 23617416
3-trihydroxysilylpropyl methanesulfonate
CID 164997889
4-methylsulfonyloxybutanoic acid
CID 19373983

Frequently Asked Questions

What is the IUPAC name of chromium;4-methylsulfonyloxybutyl methanesulfonate?
The IUPAC name of chromium;4-methylsulfonyloxybutyl methanesulfonate (CID 174784786) is chromium;4-methylsulfonyloxybutyl methanesulfonate.
What is the SMILES notation for chromium;4-methylsulfonyloxybutyl methanesulfonate?
The canonical SMILES for chromium;4-methylsulfonyloxybutyl methanesulfonate is CS(=O)(=O)OCCCCOS(C)(=O)=O.[Cr].
What is the InChIKey of chromium;4-methylsulfonyloxybutyl methanesulfonate?
The InChIKey is GIAGIBMKOORRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O6S2.Cr/c1-13(7,8)11-5-3-4-6-12-14(2,9)10;/h3-6H2,1-2H3;.
What are the key properties of chromium;4-methylsulfonyloxybutyl methanesulfonate?
chromium;4-methylsulfonyloxybutyl methanesulfonate has a molecular weight of 298.30 g/mol, XLogP of -0.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;4-methylsulfonyloxybutyl methanesulfonate is sourced from PubChem (CID 174784786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).