chromium(2+);2-methanidyl-2-methylpropane;pentan-2-yl acetate

C12H24CrO2 — CID 88738634

IUPACchromium(2+);2-methanidyl-2-methylpropane;pentan-2-yl acetate
SMILES[CH2-]C(C)(C)C.[CH2-]C(CCC)OC(C)=O.[Cr+2]
InChIInChI=1S/C7H13O2.C5H11.Cr/c1-4-5-6(2)9-7(3)8;1-5(2,3)4;/h6H,2,4-5H2,1,3H3;1H2,2-4H3;/q2*-1;+2
InChIKeyIMAJLHCNRWGZFW-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.42
Rot. Bonds3

About chromium(2+);2-methanidyl-2-methylpropane;pentan-2-yl acetate

chromium(2+);2-methanidyl-2-methylpropane;pentan-2-yl acetate (PubChem CID 88738634) has the molecular formula C12H24CrO2 and a molecular weight of 252.32 g/mol. Its IUPAC name is chromium(2+);2-methanidyl-2-methylpropane;pentan-2-yl acetate.

Molecular Properties

Compound Namechromium(2+);2-methanidyl-2-methylpropane;pentan-2-yl acetate
PubChem CID88738634
Molecular FormulaC12H24CrO2
Molecular Weight252.32 g/mol
Exact Mass252.12
IUPAC Namechromium(2+);2-methanidyl-2-methylpropane;pentan-2-yl acetate
SMILES[CH2-]C(C)(C)C.[CH2-]C(CCC)OC(C)=O.[Cr+2]
InChIInChI=1S/C7H13O2.C5H11.Cr/c1-4-5-6(2)9-7(3)8;1-5(2,3)4;/h6H,2,4-5H2,1,3H3;1H2,2-4H3;/q2*-1;+2
InChIKeyIMAJLHCNRWGZFW-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-2-methylhexan-3-yl) acetate
CID 140977252
(313C)heptan-4-yl acetate
CID 117065532
1-methylsulfonyloxybutyl acetate
CID 141334009
azane;pentan-2-yl acetate
CID 174372937
1-aminobutyl acetate
CID 22643639
1-methylsulfonyloxypentyl acetate
CID 141334012
hexan-2-yl acetate;methane
CID 159910641
1-methoxypentyl acetate
CID 18000534
1-bromopentan-2-yl acetate
CID 14264119
[(5S,6R)-9,9-dimethyl-6-(trifluoromethyl)dec-7-yn-5-yl] acetate
CID 10637388
1-silylpropyl acetate
CID 173180610
4,10-dimethyltridecan-7-yl acetate
CID 87224928

Frequently Asked Questions

What is the IUPAC name of chromium(2+);2-methanidyl-2-methylpropane;pentan-2-yl acetate?
The IUPAC name of chromium(2+);2-methanidyl-2-methylpropane;pentan-2-yl acetate (CID 88738634) is chromium(2+);2-methanidyl-2-methylpropane;pentan-2-yl acetate.
What is the SMILES notation for chromium(2+);2-methanidyl-2-methylpropane;pentan-2-yl acetate?
The canonical SMILES for chromium(2+);2-methanidyl-2-methylpropane;pentan-2-yl acetate is [CH2-]C(C)(C)C.[CH2-]C(CCC)OC(C)=O.[Cr+2].
What is the InChIKey of chromium(2+);2-methanidyl-2-methylpropane;pentan-2-yl acetate?
The InChIKey is IMAJLHCNRWGZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O2.C5H11.Cr/c1-4-5-6(2)9-7(3)8;1-5(2,3)4;/h6H,2,4-5H2,1,3H3;1H2,2-4H3;/q2*-1;+2.
What are the key properties of chromium(2+);2-methanidyl-2-methylpropane;pentan-2-yl acetate?
chromium(2+);2-methanidyl-2-methylpropane;pentan-2-yl acetate has a molecular weight of 252.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);2-methanidyl-2-methylpropane;pentan-2-yl acetate is sourced from PubChem (CID 88738634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).