carbanide;cyclooctene;pentane-2,4-diol;rhodium(2+)

C23H46O2Rh — CID 164887045

IUPACcarbanide;cyclooctene;pentane-2,4-diol;rhodium(2+)
SMILESC1=C\CCCCCC/1.C1=C\CCCCCC/1.CC(O)CC(C)O.[CH3-].[CH3-].[Rh+2]
InChIInChI=1S/2C8H14.C5H12O2.2CH3.Rh/c2*1-2-4-6-8-7-5-3-1;1-4(6)3-5(2)7;;;/h2*1-2H,3-8H2;4-7H,3H2,1-2H3;2*1H3;/q;;;2*-1;+2/b2*2-1-;;;;
InChIKeyXHMRMOQYEUHIAI-KZXGFQSYSA-N
MW457.53 g/mol
LogP6.83
Rot. Bonds2

About carbanide;cyclooctene;pentane-2,4-diol;rhodium(2+)

carbanide;cyclooctene;pentane-2,4-diol;rhodium(2+) (PubChem CID 164887045) has the molecular formula C23H46O2Rh and a molecular weight of 457.53 g/mol. Its IUPAC name is carbanide;cyclooctene;pentane-2,4-diol;rhodium(2+).

Molecular Properties

Compound Namecarbanide;cyclooctene;pentane-2,4-diol;rhodium(2+)
PubChem CID164887045
Molecular FormulaC23H46O2Rh
Molecular Weight457.53 g/mol
Exact Mass457.26
IUPAC Namecarbanide;cyclooctene;pentane-2,4-diol;rhodium(2+)
SMILESC1=C\CCCCCC/1.C1=C\CCCCCC/1.CC(O)CC(C)O.[CH3-].[CH3-].[Rh+2]
InChIInChI=1S/2C8H14.C5H12O2.2CH3.Rh/c2*1-2-4-6-8-7-5-3-1;1-4(6)3-5(2)7;;;/h2*1-2H,3-8H2;4-7H,3H2,1-2H3;2*1H3;/q;;;2*-1;+2/b2*2-1-;;;;
InChIKeyXHMRMOQYEUHIAI-KZXGFQSYSA-N
XLogP6.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbanide;bis(pentane-2,4-diol);titanium(2+)
CID 58114426
cyclohexene;cyclopentane;propane
CID 142184271
tris(pentane-2,4-diol);ruthenium
CID 5231187
europium;tetrakis(pentane-2,4-diol)
CID 59946569
copper bis(pentane-2,4-diol)
CID 135036707
palladium;bis(pentane-2,4-diol)
CID 58773675
iron(2+);bis(pentane-2,4-diol)
CID 161218003
(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
CID 153422638
cyclopentadecene
CID 5463009
(1E)-cyclooctadeca-1,8-diene
CID 173129359
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080
cyclopentadeca-1,7-diene
CID 154173092

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclooctene;pentane-2,4-diol;rhodium(2+)?
The IUPAC name of carbanide;cyclooctene;pentane-2,4-diol;rhodium(2+) (CID 164887045) is carbanide;cyclooctene;pentane-2,4-diol;rhodium(2+).
What is the SMILES notation for carbanide;cyclooctene;pentane-2,4-diol;rhodium(2+)?
The canonical SMILES for carbanide;cyclooctene;pentane-2,4-diol;rhodium(2+) is C1=C\CCCCCC/1.C1=C\CCCCCC/1.CC(O)CC(C)O.[CH3-].[CH3-].[Rh+2].
What is the InChIKey of carbanide;cyclooctene;pentane-2,4-diol;rhodium(2+)?
The InChIKey is XHMRMOQYEUHIAI-KZXGFQSYSA-N. The full InChI is InChI=1S/2C8H14.C5H12O2.2CH3.Rh/c2*1-2-4-6-8-7-5-3-1;1-4(6)3-5(2)7;;;/h2*1-2H,3-8H2;4-7H,3H2,1-2H3;2*1H3;/q;;;2*-1;+2/b2*2-1-;;;;.
What are the key properties of carbanide;cyclooctene;pentane-2,4-diol;rhodium(2+)?
carbanide;cyclooctene;pentane-2,4-diol;rhodium(2+) has a molecular weight of 457.53 g/mol, XLogP of 6.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclooctene;pentane-2,4-diol;rhodium(2+) is sourced from PubChem (CID 164887045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).