carbanide;cyclopentane;iron(2+);methyl-[1-(2-methylcyclopentyl)ethyl]phosphane

C16H35FeP — CID 162297410

IUPACcarbanide;cyclopentane;iron(2+);methyl-[1-(2-methylcyclopentyl)ethyl]phosphane
SMILESC1CCCC1.CPC(C)C1CCCC1C.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C9H19P.C5H10.2CH3.Fe/c1-7-5-4-6-9(7)8(2)10-3;1-2-4-5-3-1;;;/h7-10H,4-6H2,1-3H3;1-5H2;2*1H3;/q;;2*-1;+2
InChIKeyJBPJAXWGAVBASU-UHFFFAOYSA-N
MW314.28 g/mol
LogP5.97
Rot. Bonds2

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

carbanide;cyclopentane;iron(2+);methyl-[1-(2-methylcyclopentyl)ethyl]phosphane (PubChem CID 162297410) has the molecular formula C16H35FeP and a molecular weight of 314.28 g/mol. Its IUPAC name is carbanide;cyclopentane;iron(2+);methyl-[1-(2-methylcyclopentyl)ethyl]phosphane.

Molecular Properties

Compound Namecarbanide;cyclopentane;iron(2+);methyl-[1-(2-methylcyclopentyl)ethyl]phosphane
PubChem CID162297410
Molecular FormulaC16H35FeP
Molecular Weight314.28 g/mol
Exact Mass314.18
IUPAC Namecarbanide;cyclopentane;iron(2+);methyl-[1-(2-methylcyclopentyl)ethyl]phosphane
SMILESC1CCCC1.CPC(C)C1CCCC1C.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C9H19P.C5H10.2CH3.Fe/c1-7-5-4-6-9(7)8(2)10-3;1-2-4-5-3-1;;;/h7-10H,4-6H2,1-3H3;1-5H2;2*1H3;/q;;2*-1;+2
InChIKeyJBPJAXWGAVBASU-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.28
LogP ≤ 55.97
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

cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
carbanide;cyclopentane;dicyclohexyl-[(1R)-1-(2-methylcyclopentyl)ethyl]phosphane;iron(2+);methane
CID 162272178
cis-(1R,2S)-1-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopentane
CID 163236440
1-methyl-2-(4-methylhexan-2-yl)cyclopentane
CID 123800434
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
N-methyl-1-[(2S)-2-methylcyclohexyl]ethanamine
CID 89083214
(2-methylcyclopentyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107181535
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
1,2-dimethylcyclohexane;2-methylpropane
CID 143562785
1-(2-methylcyclopentyl)propylphosphane
CID 176966789
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
1,2-dimethylcyclononadecane
CID 123549851

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentane;iron(2+);methyl-[1-(2-methylcyclopentyl)ethyl]phosphane?
The IUPAC name of carbanide;cyclopentane;iron(2+);methyl-[1-(2-methylcyclopentyl)ethyl]phosphane (CID 162297410) is carbanide;cyclopentane;iron(2+);methyl-[1-(2-methylcyclopentyl)ethyl]phosphane.
What is the SMILES notation for carbanide;cyclopentane;iron(2+);methyl-[1-(2-methylcyclopentyl)ethyl]phosphane?
The canonical SMILES for carbanide;cyclopentane;iron(2+);methyl-[1-(2-methylcyclopentyl)ethyl]phosphane is C1CCCC1.CPC(C)C1CCCC1C.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of carbanide;cyclopentane;iron(2+);methyl-[1-(2-methylcyclopentyl)ethyl]phosphane?
The InChIKey is JBPJAXWGAVBASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19P.C5H10.2CH3.Fe/c1-7-5-4-6-9(7)8(2)10-3;1-2-4-5-3-1;;;/h7-10H,4-6H2,1-3H3;1-5H2;2*1H3;/q;;2*-1;+2.
What are the key properties of carbanide;cyclopentane;iron(2+);methyl-[1-(2-methylcyclopentyl)ethyl]phosphane?
carbanide;cyclopentane;iron(2+);methyl-[1-(2-methylcyclopentyl)ethyl]phosphane has a molecular weight of 314.28 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentane;iron(2+);methyl-[1-(2-methylcyclopentyl)ethyl]phosphane is sourced from PubChem (CID 162297410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).