bis(dimethyl-(2-propan-2-ylcyclopentyl)phosphane);ethane;iron

C22H48FeP2 — CID 162282731

IUPACbis(dimethyl-(2-propan-2-ylcyclopentyl)phosphane);ethane;iron
SMILESCC.CC(C)C1CCCC1P(C)C.CC(C)C1CCCC1P(C)C.[Fe]
InChIInChI=1S/2C10H21P.C2H6.Fe/c2*1-8(2)9-6-5-7-10(9)11(3)4;1-2;/h2*8-10H,5-7H2,1-4H3;1-2H3;
InChIKeyBZNHIFSDMJXWEE-UHFFFAOYSA-N
MW430.42 g/mol
LogP8.13
Rot. Bonds4

About bis(dimethyl-(2-propan-2-ylcyclopentyl)phosphane);ethane;iron

bis(dimethyl-(2-propan-2-ylcyclopentyl)phosphane);ethane;iron (PubChem CID 162282731) has the molecular formula C22H48FeP2 and a molecular weight of 430.42 g/mol. Its IUPAC name is bis(dimethyl-(2-propan-2-ylcyclopentyl)phosphane);ethane;iron.

Molecular Properties

Compound Namebis(dimethyl-(2-propan-2-ylcyclopentyl)phosphane);ethane;iron
PubChem CID162282731
Molecular FormulaC22H48FeP2
Molecular Weight430.42 g/mol
Exact Mass430.26
IUPAC Namebis(dimethyl-(2-propan-2-ylcyclopentyl)phosphane);ethane;iron
SMILESCC.CC(C)C1CCCC1P(C)C.CC(C)C1CCCC1P(C)C.[Fe]
InChIInChI=1S/2C10H21P.C2H6.Fe/c2*1-8(2)9-6-5-7-10(9)11(3)4;1-2;/h2*8-10H,5-7H2,1-4H3;1-2H3;
InChIKeyBZNHIFSDMJXWEE-UHFFFAOYSA-N
XLogP8.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.42
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
tert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid
CID 58470961
[2-[(1S)-1-(2-dimethylphosphanylcyclopentyl)ethyl]phenyl]-dimethylphosphane
CID 59893964
cyclopentane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane
CID 90737985
ethane;iron;bis(methyl-(2-propan-2-ylcyclopentyl)phosphane)
CID 162284060
dimethyl-(2-methylcyclopentyl)phosphane
CID 58903838
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane
CID 172588830
trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane
CID 167274571
(2S)-N,2-di(propan-2-yl)cyclopentan-1-amine
CID 90381453
1,2-difluoro-3-propan-2-ylcyclohexane
CID 140573475
cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane
CID 137449477

Frequently Asked Questions

What is the IUPAC name of bis(dimethyl-(2-propan-2-ylcyclopentyl)phosphane);ethane;iron?
The IUPAC name of bis(dimethyl-(2-propan-2-ylcyclopentyl)phosphane);ethane;iron (CID 162282731) is bis(dimethyl-(2-propan-2-ylcyclopentyl)phosphane);ethane;iron.
What is the SMILES notation for bis(dimethyl-(2-propan-2-ylcyclopentyl)phosphane);ethane;iron?
The canonical SMILES for bis(dimethyl-(2-propan-2-ylcyclopentyl)phosphane);ethane;iron is CC.CC(C)C1CCCC1P(C)C.CC(C)C1CCCC1P(C)C.[Fe].
What is the InChIKey of bis(dimethyl-(2-propan-2-ylcyclopentyl)phosphane);ethane;iron?
The InChIKey is BZNHIFSDMJXWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H21P.C2H6.Fe/c2*1-8(2)9-6-5-7-10(9)11(3)4;1-2;/h2*8-10H,5-7H2,1-4H3;1-2H3;.
What are the key properties of bis(dimethyl-(2-propan-2-ylcyclopentyl)phosphane);ethane;iron?
bis(dimethyl-(2-propan-2-ylcyclopentyl)phosphane);ethane;iron has a molecular weight of 430.42 g/mol, XLogP of 8.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethyl-(2-propan-2-ylcyclopentyl)phosphane);ethane;iron is sourced from PubChem (CID 162282731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).