4-cyclohexylbutanoic acid;manganese

C10H18MnO2 — CID 54607730

IUPAC4-cyclohexylbutanoic acid;manganese
SMILESO=C(O)CCCC1CCCCC1.[Mn]
InChIInChI=1S/C10H18O2.Mn/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);
InChIKeyMBKZWZMZOUOPEY-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.82
Rot. Bonds4

About 4-cyclohexylbutanoic acid;manganese

4-cyclohexylbutanoic acid;manganese (PubChem CID 54607730) has the molecular formula C10H18MnO2 and a molecular weight of 225.19 g/mol. Its IUPAC name is 4-cyclohexylbutanoic acid;manganese.

Molecular Properties

Compound Name4-cyclohexylbutanoic acid;manganese
PubChem CID54607730
Molecular FormulaC10H18MnO2
Molecular Weight225.19 g/mol
Exact Mass225.07
IUPAC Name4-cyclohexylbutanoic acid;manganese
SMILESO=C(O)CCCC1CCCCC1.[Mn]
InChIInChI=1S/C10H18O2.Mn/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);
InChIKeyMBKZWZMZOUOPEY-UHFFFAOYSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbutanoic acid;manganese?
The IUPAC name of 4-cyclohexylbutanoic acid;manganese (CID 54607730) is 4-cyclohexylbutanoic acid;manganese.
What is the SMILES notation for 4-cyclohexylbutanoic acid;manganese?
The canonical SMILES for 4-cyclohexylbutanoic acid;manganese is O=C(O)CCCC1CCCCC1.[Mn].
What is the InChIKey of 4-cyclohexylbutanoic acid;manganese?
The InChIKey is MBKZWZMZOUOPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2.Mn/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);.
What are the key properties of 4-cyclohexylbutanoic acid;manganese?
4-cyclohexylbutanoic acid;manganese has a molecular weight of 225.19 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbutanoic acid;manganese is sourced from PubChem (CID 54607730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).