(1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride

C38H70BF4FeP2Rh- — CID 155885072

IUPAC(1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride
SMILESC1=C\CC/C=C\CC/1.CC(C)C1CCC(C(C)C)P1C1CCCC1.CC(C)C1CCC(C(C)C)P1C1CCCC1.FB(F)F.[F-].[Fe].[Rh]
InChIInChI=1S/2C15H29P.C8H12.BF3.FH.Fe.Rh/c2*1-11(2)14-9-10-15(12(3)4)16(14)13-7-5-6-8-13;1-2-4-6-8-7-5-3-1;2-1(3)4;;;/h2*11-15H,5-10H2,1-4H3;1-2,7-8H,3-6H2;;1H;;/p-1/b;;2-1-,8-7-;;;;
InChIKeyIYKVVVSUCABYEJ-OHHPTVSFSA-M
MW834.48 g/mol
LogP11.06
Rot. Bonds6

About (1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride

(1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride (PubChem CID 155885072) has the molecular formula C38H70BF4FeP2Rh- and a molecular weight of 834.48 g/mol. Its IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride.

Molecular Properties

Compound Name(1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride
PubChem CID155885072
Molecular FormulaC38H70BF4FeP2Rh-
Molecular Weight834.48 g/mol
Exact Mass834.34
IUPAC Name(1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride
SMILESC1=C\CC/C=C\CC/1.CC(C)C1CCC(C(C)C)P1C1CCCC1.CC(C)C1CCC(C(C)C)P1C1CCCC1.FB(F)F.[F-].[Fe].[Rh]
InChIInChI=1S/2C15H29P.C8H12.BF3.FH.Fe.Rh/c2*1-11(2)14-9-10-15(12(3)4)16(14)13-7-5-6-8-13;1-2-4-6-8-7-5-3-1;2-1(3)4;;;/h2*11-15H,5-10H2,1-4H3;1-2,7-8H,3-6H2;;1H;;/p-1/b;;2-1-,8-7-;;;;
InChIKeyIYKVVVSUCABYEJ-OHHPTVSFSA-M
XLogP11.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.48
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

carbanide;cyclopentane;(2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]cyclopentyl]-2,5-di(propan-2-yl)phospholane;iron(2+)
CID 162281940
(1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate
CID 71310758
bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron
CID 155884997
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CID 54254739
CID 11643550
CID 11643550
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CID 123179204
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CID 101395115
cyclododecene;cyclohexylcyclohexane
CID 173310836
cycloocta-1,5-diene;ditert-butyl-[[tert-butyl(methyl)phosphaniumyl]methyl]phosphanium;rhodium;trifluoroborane;fluoride
CID 171370942
cycloocta-1,5-diene;ethylcyclopentane;iridium
CID 161218097
1-cyclopentyl-2,5-diethylphospholane
CID 91984020
trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 169426294

Frequently Asked Questions

What is the IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride?
The IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride (CID 155885072) is (1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride.
What is the SMILES notation for (1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride?
The canonical SMILES for (1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride is C1=C\CC/C=C\CC/1.CC(C)C1CCC(C(C)C)P1C1CCCC1.CC(C)C1CCC(C(C)C)P1C1CCCC1.FB(F)F.[F-].[Fe].[Rh].
What is the InChIKey of (1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride?
The InChIKey is IYKVVVSUCABYEJ-OHHPTVSFSA-M. The full InChI is InChI=1S/2C15H29P.C8H12.BF3.FH.Fe.Rh/c2*1-11(2)14-9-10-15(12(3)4)16(14)13-7-5-6-8-13;1-2-4-6-8-7-5-3-1;2-1(3)4;;;/h2*11-15H,5-10H2,1-4H3;1-2,7-8H,3-6H2;;1H;;/p-1/b;;2-1-,8-7-;;;;.
What are the key properties of (1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride?
(1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride has a molecular weight of 834.48 g/mol, XLogP of 11.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride is sourced from PubChem (CID 155885072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).