cyclopentane;iron;2-methylpropylcyclopentane

C14H28Fe — CID 172726896

IUPACcyclopentane;iron;2-methylpropylcyclopentane
SMILESC1CCCC1.CC(C)CC1CCCC1.[Fe]
InChIInChI=1S/C9H18.C5H10.Fe/c1-8(2)7-9-5-3-4-6-9;1-2-4-5-3-1;/h8-9H,3-7H2,1-2H3;1-5H2;
InChIKeyONXRVLIFEWBUMW-UHFFFAOYSA-N
MW252.22 g/mol
LogP5.17
Rot. Bonds2

About cyclopentane;iron;2-methylpropylcyclopentane

cyclopentane;iron;2-methylpropylcyclopentane (PubChem CID 172726896) has the molecular formula C14H28Fe and a molecular weight of 252.22 g/mol. Its IUPAC name is cyclopentane;iron;2-methylpropylcyclopentane.

Molecular Properties

Compound Namecyclopentane;iron;2-methylpropylcyclopentane
PubChem CID172726896
Molecular FormulaC14H28Fe
Molecular Weight252.22 g/mol
Exact Mass252.15
IUPAC Namecyclopentane;iron;2-methylpropylcyclopentane
SMILESC1CCCC1.CC(C)CC1CCCC1.[Fe]
InChIInChI=1S/C9H18.C5H10.Fe/c1-8(2)7-9-5-3-4-6-9;1-2-4-5-3-1;/h8-9H,3-7H2,1-2H3;1-5H2;
InChIKeyONXRVLIFEWBUMW-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.22
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
methane;2-methylpropylcyclopentane
CID 161254337
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane
CID 161332116
(1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane
CID 157285148
3-methylbutylcyclobutane;3-methylbutylcycloheptane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcycloheptane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159602512
1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane
CID 162072705
2,3-dimethylbutylcyclodecane
CID 123220792
(3-methyl-2-propan-2-ylbutyl)cycloheptane
CID 123585668
3-(2-methylpropyl)azecane
CID 91499893
3-(2-methylpropyl)-azacyclododecane
CID 18705357

Frequently Asked Questions

What is the IUPAC name of cyclopentane;iron;2-methylpropylcyclopentane?
The IUPAC name of cyclopentane;iron;2-methylpropylcyclopentane (CID 172726896) is cyclopentane;iron;2-methylpropylcyclopentane.
What is the SMILES notation for cyclopentane;iron;2-methylpropylcyclopentane?
The canonical SMILES for cyclopentane;iron;2-methylpropylcyclopentane is C1CCCC1.CC(C)CC1CCCC1.[Fe].
What is the InChIKey of cyclopentane;iron;2-methylpropylcyclopentane?
The InChIKey is ONXRVLIFEWBUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C5H10.Fe/c1-8(2)7-9-5-3-4-6-9;1-2-4-5-3-1;/h8-9H,3-7H2,1-2H3;1-5H2;.
What are the key properties of cyclopentane;iron;2-methylpropylcyclopentane?
cyclopentane;iron;2-methylpropylcyclopentane has a molecular weight of 252.22 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;iron;2-methylpropylcyclopentane is sourced from PubChem (CID 172726896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).