copper bis(3-cyclohexyl-2-hydroxypropanoate)

C18H30CuO6 — CID 129047910

IUPACcopper bis(3-cyclohexyl-2-hydroxypropanoate)
SMILESO=C([O-])C(O)CC1CCCCC1.O=C([O-])C(O)CC1CCCCC1.[Cu+2]
InChIInChI=1S/2C9H16O3.Cu/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*7-8,10H,1-6H2,(H,11,12);/q;;+2/p-2
InChIKeyRISZXTZXIKPKHN-UHFFFAOYSA-L
MW405.98 g/mol
LogP0.13
Rot. Bonds6

About copper bis(3-cyclohexyl-2-hydroxypropanoate)

copper bis(3-cyclohexyl-2-hydroxypropanoate) (PubChem CID 129047910) has the molecular formula C18H30CuO6 and a molecular weight of 405.98 g/mol. Its IUPAC name is copper bis(3-cyclohexyl-2-hydroxypropanoate).

Molecular Properties

Compound Namecopper bis(3-cyclohexyl-2-hydroxypropanoate)
PubChem CID129047910
Molecular FormulaC18H30CuO6
Molecular Weight405.98 g/mol
Exact Mass405.13
IUPAC Namecopper bis(3-cyclohexyl-2-hydroxypropanoate)
SMILESO=C([O-])C(O)CC1CCCCC1.O=C([O-])C(O)CC1CCCCC1.[Cu+2]
InChIInChI=1S/2C9H16O3.Cu/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*7-8,10H,1-6H2,(H,11,12);/q;;+2/p-2
InChIKeyRISZXTZXIKPKHN-UHFFFAOYSA-L
XLogP0.13
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.98
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 59948409
(2R)-2-chloro-3-cyclohexylpropanoic acid
CID 86657609
3-cyclohexyl-2-hydroxy-N-piperidin-1-ylpropanamide
CID 22014019
(2S)-3-cyclohexyl-2-hydroxy-1-morpholin-4-ylpropan-1-one
CID 59949122
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
3-cyclohexyl-2-iodopropanoic acid
CID 150221699
(2S)-2-bromo-3-cyclohexylpropanoic acid
CID 58736783
(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 121368311
3-amino-4-cyclohexylbutan-2-one
CID 20668322
1-cyclohexyl-3,3-difluorobutan-2-ol
CID 131122835
3-cyclohexyl-2-methylpropane-1,1-diol
CID 20647941
2-cyclohexyl-2-methylpropanoate
CID 57470554

Frequently Asked Questions

What is the IUPAC name of copper bis(3-cyclohexyl-2-hydroxypropanoate)?
The IUPAC name of copper bis(3-cyclohexyl-2-hydroxypropanoate) (CID 129047910) is copper bis(3-cyclohexyl-2-hydroxypropanoate).
What is the SMILES notation for copper bis(3-cyclohexyl-2-hydroxypropanoate)?
The canonical SMILES for copper bis(3-cyclohexyl-2-hydroxypropanoate) is O=C([O-])C(O)CC1CCCCC1.O=C([O-])C(O)CC1CCCCC1.[Cu+2].
What is the InChIKey of copper bis(3-cyclohexyl-2-hydroxypropanoate)?
The InChIKey is RISZXTZXIKPKHN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H16O3.Cu/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*7-8,10H,1-6H2,(H,11,12);/q;;+2/p-2.
What are the key properties of copper bis(3-cyclohexyl-2-hydroxypropanoate)?
copper bis(3-cyclohexyl-2-hydroxypropanoate) has a molecular weight of 405.98 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(3-cyclohexyl-2-hydroxypropanoate) is sourced from PubChem (CID 129047910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).