2-(1-hydroxy-2,2-dimethylpropyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclopentan-1-ol;6-(1-hydroxyethyl)-2,2-dimethylcyclohexan-1-ol;3-(1-hydroxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;pentakis(iridium);pentakis(4-methyl-6-phenylpyrimidine)

C103H139Ir5N10O10-5 — CID 161052383

IUPAC2-(1-hydroxy-2,2-dimethylpropyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclopentan-1-ol;6-(1-hydroxyethyl)-2,2-dimethylcyclohexan-1-ol;3-(1-hydroxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;pentakis(iridium);pentakis(4-methyl-6-phenylpyrimidine)
SMILESCC(C)(C)C(O)C1CCCCC1O.CC(O)C1C2CCC(C)(C1O)C2(C)C.CC(O)C1CCCC(C)(C)C1O.CC(O)C1CCCC1O.CC(O)C1CCCCC1O.Cc1cc(-c2[c-]cccc2)ncn1.Cc1cc(-c2[c-]cccc2)ncn1.Cc1cc(-c2[c-]cccc2)ncn1.Cc1cc(-c2[c-]cccc2)ncn1.Cc1cc(-c2[c-]cccc2)ncn1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C12H22O2.5C11H9N2.C11H22O2.C10H20O2.C8H16O2.C7H14O2.5Ir/c1-7(13)9-8-5-6-12(4,10(9)14)11(8,2)3;5*1-9-7-11(13-8-12-9)10-5-3-2-4-6-10;1-11(2,3)10(13)8-6-4-5-7-9(8)12;1-7(11)8-5-4-6-10(2,3)9(8)12;1-6(9)7-4-2-3-5-8(7)10;1-5(8)6-3-2-4-7(6)9;;;;;/h7-10,13-14H,5-6H2,1-4H3;5*2-5,7-8H,1H3;8-10,12-13H,4-7H2,1-3H3;7-9,11-12H,4-6H2,1-3H3;6-10H,2-5H2,1H3;5-9H,2-4H2,1H3;;;;;/q;5*-1;;;;;;;;;
InChIKeyMXJOZGVTBAIGCV-UHFFFAOYSA-N
MW2638.39 g/mol
LogP17.99
Rot. Bonds10

About 2-(1-hydroxy-2,2-dimethylpropyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclopentan-1-ol;6-(1-hydroxyethyl)-2,2-dimethylcyclohexan-1-ol;3-(1-hydroxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;pentakis(iridium);pentakis(4-methyl-6-phenylpyrimidine)

2-(1-hydroxy-2,2-dimethylpropyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclopentan-1-ol;6-(1-hydroxyethyl)-2,2-dimethylcyclohexan-1-ol;3-(1-hydroxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;pentakis(iridium);pentakis(4-methyl-6-phenylpyrimidine) (PubChem CID 161052383) has the molecular formula C103H139Ir5N10O10-5 and a molecular weight of 2638.39 g/mol. Its IUPAC name is 2-(1-hydroxy-2,2-dimethylpropyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclopentan-1-ol;6-(1-hydroxyethyl)-2,2-dimethylcyclohexan-1-ol;3-(1-hydroxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;pentakis(iridium);pentakis(4-methyl-6-phenylpyrimidine).

Molecular Properties

Compound Name2-(1-hydroxy-2,2-dimethylpropyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclopentan-1-ol;6-(1-hydroxyethyl)-2,2-dimethylcyclohexan-1-ol;3-(1-hydroxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;pentakis(iridium);pentakis(4-methyl-6-phenylpyrimidine)
PubChem CID161052383
Molecular FormulaC103H139Ir5N10O10-5
Molecular Weight2638.39 g/mol
Exact Mass2640.88
IUPAC Name2-(1-hydroxy-2,2-dimethylpropyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclopentan-1-ol;6-(1-hydroxyethyl)-2,2-dimethylcyclohexan-1-ol;3-(1-hydroxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;pentakis(iridium);pentakis(4-methyl-6-phenylpyrimidine)
SMILESCC(C)(C)C(O)C1CCCCC1O.CC(O)C1C2CCC(C)(C1O)C2(C)C.CC(O)C1CCCC(C)(C)C1O.CC(O)C1CCCC1O.CC(O)C1CCCCC1O.Cc1cc(-c2[c-]cccc2)ncn1.Cc1cc(-c2[c-]cccc2)ncn1.Cc1cc(-c2[c-]cccc2)ncn1.Cc1cc(-c2[c-]cccc2)ncn1.Cc1cc(-c2[c-]cccc2)ncn1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C12H22O2.5C11H9N2.C11H22O2.C10H20O2.C8H16O2.C7H14O2.5Ir/c1-7(13)9-8-5-6-12(4,10(9)14)11(8,2)3;5*1-9-7-11(13-8-12-9)10-5-3-2-4-6-10;1-11(2,3)10(13)8-6-4-5-7-9(8)12;1-7(11)8-5-4-6-10(2,3)9(8)12;1-6(9)7-4-2-3-5-8(7)10;1-5(8)6-3-2-4-7(6)9;;;;;/h7-10,13-14H,5-6H2,1-4H3;5*2-5,7-8H,1H3;8-10,12-13H,4-7H2,1-3H3;7-9,11-12H,4-6H2,1-3H3;6-10H,2-5H2,1H3;5-9H,2-4H2,1H3;;;;;/q;5*-1;;;;;;;;;
InChIKeyMXJOZGVTBAIGCV-UHFFFAOYSA-N
XLogP17.99
TPSA331.20 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002638.39
LogP ≤ 517.99
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-(1-hydroxy-2,2-dimethylpropyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclopentan-1-ol;6-(1-hydroxyethyl)-2,2-dimethylcyclohexan-1-ol;3-(1-hydroxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;pentakis(iridium);pentakis(4-methyl-6-phenylpyrimidine) with MolForge

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Related Compounds

iridium;4-methyl-6-phenylpyrimidine;pentane-2,4-diol
CID 140590079
iridium;2-phenylpyridine;2,2,9,9-tetramethyl-1,3,4,5,5a,6,7,8,10,10a-decahydroheptalene-1,10-diol
CID 170527408
(1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10849014
3,5-diphenyl-2-phenylpyrazine;2-(1-hydroxyethyl)cyclohexan-1-ol;iridium
CID 140608905
iridium;4-methyl-2-phenylquinoline;2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol
CID 170527937
iridium;5-phenyl-2-phenylpyridine;3,3,6,6-tetramethyl-2,4,4a,5,7,8,9,9a-octahydro-1H-benzo[7]annulene-4,5-diol
CID 170528175
1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol;iridium;3-phenyl-6-propan-2-ylisoquinoline
CID 170528002
1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene-1,10-diol;iridium;6-methyl-2-phenylquinoline
CID 170528484
1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene-1,10-diol;iridium;5-methyl-3-phenylisoquinoline
CID 170527703
(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium
CID 140739402
5-(1-hydroxy-2,2-dimethylpropyl)-2,2-dimethylcyclopentan-1-ol
CID 140608930
1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol;iridium;2-phenyl-7-propan-2-ylquinoline
CID 170527780

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2,2-dimethylpropyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclopentan-1-ol;6-(1-hydroxyethyl)-2,2-dimethylcyclohexan-1-ol;3-(1-hydroxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;pentakis(iridium);pentakis(4-methyl-6-phenylpyrimidine)?
The IUPAC name of 2-(1-hydroxy-2,2-dimethylpropyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclopentan-1-ol;6-(1-hydroxyethyl)-2,2-dimethylcyclohexan-1-ol;3-(1-hydroxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;pentakis(iridium);pentakis(4-methyl-6-phenylpyrimidine) (CID 161052383) is 2-(1-hydroxy-2,2-dimethylpropyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclopentan-1-ol;6-(1-hydroxyethyl)-2,2-dimethylcyclohexan-1-ol;3-(1-hydroxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;pentakis(iridium);pentakis(4-methyl-6-phenylpyrimidine).
What is the SMILES notation for 2-(1-hydroxy-2,2-dimethylpropyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclopentan-1-ol;6-(1-hydroxyethyl)-2,2-dimethylcyclohexan-1-ol;3-(1-hydroxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;pentakis(iridium);pentakis(4-methyl-6-phenylpyrimidine)?
The canonical SMILES for 2-(1-hydroxy-2,2-dimethylpropyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclopentan-1-ol;6-(1-hydroxyethyl)-2,2-dimethylcyclohexan-1-ol;3-(1-hydroxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;pentakis(iridium);pentakis(4-methyl-6-phenylpyrimidine) is CC(C)(C)C(O)C1CCCCC1O.CC(O)C1C2CCC(C)(C1O)C2(C)C.CC(O)C1CCCC(C)(C)C1O.CC(O)C1CCCC1O.CC(O)C1CCCCC1O.Cc1cc(-c2[c-]cccc2)ncn1.Cc1cc(-c2[c-]cccc2)ncn1.Cc1cc(-c2[c-]cccc2)ncn1.Cc1cc(-c2[c-]cccc2)ncn1.Cc1cc(-c2[c-]cccc2)ncn1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(1-hydroxy-2,2-dimethylpropyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclopentan-1-ol;6-(1-hydroxyethyl)-2,2-dimethylcyclohexan-1-ol;3-(1-hydroxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;pentakis(iridium);pentakis(4-methyl-6-phenylpyrimidine)?
The InChIKey is MXJOZGVTBAIGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2.5C11H9N2.C11H22O2.C10H20O2.C8H16O2.C7H14O2.5Ir/c1-7(13)9-8-5-6-12(4,10(9)14)11(8,2)3;5*1-9-7-11(13-8-12-9)10-5-3-2-4-6-10;1-11(2,3)10(13)8-6-4-5-7-9(8)12;1-7(11)8-5-4-6-10(2,3)9(8)12;1-6(9)7-4-2-3-5-8(7)10;1-5(8)6-3-2-4-7(6)9;;;;;/h7-10,13-14H,5-6H2,1-4H3;5*2-5,7-8H,1H3;8-10,12-13H,4-7H2,1-3H3;7-9,11-12H,4-6H2,1-3H3;6-10H,2-5H2,1H3;5-9H,2-4H2,1H3;;;;;/q;5*-1;;;;;;;;;.
What are the key properties of 2-(1-hydroxy-2,2-dimethylpropyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclopentan-1-ol;6-(1-hydroxyethyl)-2,2-dimethylcyclohexan-1-ol;3-(1-hydroxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;pentakis(iridium);pentakis(4-methyl-6-phenylpyrimidine)?
2-(1-hydroxy-2,2-dimethylpropyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclopentan-1-ol;6-(1-hydroxyethyl)-2,2-dimethylcyclohexan-1-ol;3-(1-hydroxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;pentakis(iridium);pentakis(4-methyl-6-phenylpyrimidine) has a molecular weight of 2638.39 g/mol, XLogP of 17.99, 10 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2,2-dimethylpropyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclohexan-1-ol;2-(1-hydroxyethyl)cyclopentan-1-ol;6-(1-hydroxyethyl)-2,2-dimethylcyclohexan-1-ol;3-(1-hydroxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;pentakis(iridium);pentakis(4-methyl-6-phenylpyrimidine) is sourced from PubChem (CID 161052383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).