4-cyclohexylbutanoate;hydron;manganese(2+)

C10H18MnO2+2 — CID 21119793

IUPAC4-cyclohexylbutanoate;hydron;manganese(2+)
SMILESO=C([O-])CCCC1CCCCC1.[H+].[Mn+2]
InChIInChI=1S/C10H18O2.Mn/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);/q;+2
InChIKeyHVCWOESOEAQYLC-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.60
Rot. Bonds4

About 4-cyclohexylbutanoate;hydron;manganese(2+)

4-cyclohexylbutanoate;hydron;manganese(2+) (PubChem CID 21119793) has the molecular formula C10H18MnO2+2 and a molecular weight of 225.19 g/mol. Its IUPAC name is 4-cyclohexylbutanoate;hydron;manganese(2+).

Molecular Properties

Compound Name4-cyclohexylbutanoate;hydron;manganese(2+)
PubChem CID21119793
Molecular FormulaC10H18MnO2+2
Molecular Weight225.19 g/mol
Exact Mass225.07
IUPAC Name4-cyclohexylbutanoate;hydron;manganese(2+)
SMILESO=C([O-])CCCC1CCCCC1.[H+].[Mn+2]
InChIInChI=1S/C10H18O2.Mn/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);/q;+2
InChIKeyHVCWOESOEAQYLC-UHFFFAOYSA-N
XLogP1.60
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexylbutanoate;hydron;mercury(2+)
CID 21118992
4-cyclohexylbutanoate;lead(2+)
CID 21118991
bis(4-cyclohexylbutanoate);iron(2+)
CID 22104083
4-cyclohexylbutanoate;oxalic acid
CID 91198160
sodium 5-cyclohexylpentanoate
CID 101013497
sodium 3-cyclopentylpropanoate
CID 162201470
CID 131865884
CID 131865884
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
5-cyclopentylpentan-2-one
CID 18433881
4-cyclohexylbutanoyl cyanide
CID 15712809
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbutanoate;hydron;manganese(2+)?
The IUPAC name of 4-cyclohexylbutanoate;hydron;manganese(2+) (CID 21119793) is 4-cyclohexylbutanoate;hydron;manganese(2+).
What is the SMILES notation for 4-cyclohexylbutanoate;hydron;manganese(2+)?
The canonical SMILES for 4-cyclohexylbutanoate;hydron;manganese(2+) is O=C([O-])CCCC1CCCCC1.[H+].[Mn+2].
What is the InChIKey of 4-cyclohexylbutanoate;hydron;manganese(2+)?
The InChIKey is HVCWOESOEAQYLC-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);/q;+2.
What are the key properties of 4-cyclohexylbutanoate;hydron;manganese(2+)?
4-cyclohexylbutanoate;hydron;manganese(2+) has a molecular weight of 225.19 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbutanoate;hydron;manganese(2+) is sourced from PubChem (CID 21119793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).