barium(2+);bis(cyclohexanolate)

C12H22BaO2 — CID 20561220

IUPACbarium(2+);bis(cyclohexanolate)
SMILES[Ba+2].[O-]C1CCCCC1.[O-]C1CCCCC1
InChIInChI=1S/2C6H11O.Ba/c2*7-6-4-2-1-3-5-6;/h2*6H,1-5H2;/q2*-1;+2
InChIKeyMSCDCXKZIIGXTN-UHFFFAOYSA-N
MW335.63 g/mol
LogP0.98
Rot. Bonds

About barium(2+);bis(cyclohexanolate)

barium(2+);bis(cyclohexanolate) (PubChem CID 20561220) has the molecular formula C12H22BaO2 and a molecular weight of 335.63 g/mol. Its IUPAC name is barium(2+);bis(cyclohexanolate).

Molecular Properties

Compound Namebarium(2+);bis(cyclohexanolate)
PubChem CID20561220
Molecular FormulaC12H22BaO2
Molecular Weight335.63 g/mol
Exact Mass336.07
IUPAC Namebarium(2+);bis(cyclohexanolate)
SMILES[Ba+2].[O-]C1CCCCC1.[O-]C1CCCCC1
InChIInChI=1S/2C6H11O.Ba/c2*7-6-4-2-1-3-5-6;/h2*6H,1-5H2;/q2*-1;+2
InChIKeyMSCDCXKZIIGXTN-UHFFFAOYSA-N
XLogP0.98
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

potassium cyclooctanolate
CID 23713973
cesium cyclohexanolate
CID 90105973
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
azane;cyclohexylcyclohexane
CID 66583255
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
dipotassium;cyclopentanolate;ethane;oxolan-3-olate
CID 156851295
bicyclo[11.1.0]tetradecane
CID 90981498

Frequently Asked Questions

What is the IUPAC name of barium(2+);bis(cyclohexanolate)?
The IUPAC name of barium(2+);bis(cyclohexanolate) (CID 20561220) is barium(2+);bis(cyclohexanolate).
What is the SMILES notation for barium(2+);bis(cyclohexanolate)?
The canonical SMILES for barium(2+);bis(cyclohexanolate) is [Ba+2].[O-]C1CCCCC1.[O-]C1CCCCC1.
What is the InChIKey of barium(2+);bis(cyclohexanolate)?
The InChIKey is MSCDCXKZIIGXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11O.Ba/c2*7-6-4-2-1-3-5-6;/h2*6H,1-5H2;/q2*-1;+2.
What are the key properties of barium(2+);bis(cyclohexanolate)?
barium(2+);bis(cyclohexanolate) has a molecular weight of 335.63 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);bis(cyclohexanolate) is sourced from PubChem (CID 20561220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).