carbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane

C28H57FeP — CID 162272178

IUPACcarbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane
SMILESC.C1CCCC1.CC1CCCC1[C@@H](C)P(C1CCCCC1)C1CCCCC1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C20H37P.C5H10.CH4.2CH3.Fe/c1-16-10-9-15-20(16)17(2)21(18-11-5-3-6-12-18)19-13-7-4-8-14-19;1-2-4-5-3-1;;;;/h16-20H,3-15H2,1-2H3;1-5H2;1H4;2*1H3;/q;;;2*-1;+2/t16?,17-,20?;;;;;/m1...../s1
InChIKeyCZDUCJGXNBEOCA-HDHLVWFVSA-N
MW480.58 g/mol
LogP10.44
Rot. Bonds4

About carbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane

carbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane (PubChem CID 162272178) has the molecular formula C28H57FeP and a molecular weight of 480.58 g/mol. Its IUPAC name is carbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane.

Molecular Properties

Compound Namecarbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane
PubChem CID162272178
Molecular FormulaC28H57FeP
Molecular Weight480.58 g/mol
Exact Mass480.35
IUPAC Namecarbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane
SMILESC.C1CCCC1.CC1CCCC1[C@@H](C)P(C1CCCCC1)C1CCCCC1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C20H37P.C5H10.CH4.2CH3.Fe/c1-16-10-9-15-20(16)17(2)21(18-11-5-3-6-12-18)19-13-7-4-8-14-19;1-2-4-5-3-1;;;;/h16-20H,3-15H2,1-2H3;1-5H2;1H4;2*1H3;/q;;;2*-1;+2/t16?,17-,20?;;;;;/m1...../s1
InChIKeyCZDUCJGXNBEOCA-HDHLVWFVSA-N
XLogP10.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.58
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+)
CID 155819532
carbanide;cyclopentane;iron(2+);methyl-[1-(2-methylcyclopentyl)ethyl]phosphane
CID 162297410
(1R)-1-(2-bromocyclopentyl)-N,N-dimethylethanamine;[(1R)-1-(2-bromocyclopentyl)ethyl]-dicyclohexylphosphane;carbanide;bis(cyclopentane);dicyclohexylphosphane;bis(iron(2+))
CID 162275661
dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 129406680
dicyclohexyl-[1-[(2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 121477932
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
cis-(1R,2S)-1-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopentane
CID 163236440
bis[3,5-bis(trifluoromethyl)phenyl]-[2-[(1S)-1-dicyclohexylphosphanylethyl]cyclopentyl]phosphane
CID 89432891
cyclopentane;dicyclohexylphosphane;[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-dimethyl-phenylphosphanium
CID 91318546
N-methyl-1-[(2S)-2-methylcyclohexyl]ethanamine
CID 89083214
1,2-dimethylcyclohexane;2-methylpropane
CID 143562785
1,2-dimethylcyclononadecane
CID 123549851

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane?
The IUPAC name of carbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane (CID 162272178) is carbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane.
What is the SMILES notation for carbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane?
The canonical SMILES for carbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane is C.C1CCCC1.CC1CCCC1[C@@H](C)P(C1CCCCC1)C1CCCCC1.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of carbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane?
The InChIKey is CZDUCJGXNBEOCA-HDHLVWFVSA-N. The full InChI is InChI=1S/C20H37P.C5H10.CH4.2CH3.Fe/c1-16-10-9-15-20(16)17(2)21(18-11-5-3-6-12-18)19-13-7-4-8-14-19;1-2-4-5-3-1;;;;/h16-20H,3-15H2,1-2H3;1-5H2;1H4;2*1H3;/q;;;2*-1;+2/t16?,17-,20?;;;;;/m1...../s1.
What are the key properties of carbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane?
carbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane has a molecular weight of 480.58 g/mol, XLogP of 10.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane is sourced from PubChem (CID 162272178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).