cyclopentane;ethane;iron;1-methyl-2-[(1S)-1-(2-methylcyclopentyl)ethyl]benzene

C26H50Fe — CID 162283408

IUPACcyclopentane;ethane;iron;1-methyl-2-[(1S)-1-(2-methylcyclopentyl)ethyl]benzene
SMILESC1CCCC1.CC.CC.CC.Cc1ccccc1[C@@H](C)C1CCCC1C.[Fe]
InChIInChI=1S/C15H22.C5H10.3C2H6.Fe/c1-11-7-4-5-9-14(11)13(3)15-10-6-8-12(15)2;1-2-4-5-3-1;3*1-2;/h4-5,7,9,12-13,15H,6,8,10H2,1-3H3;1-5H2;3*1-2H3;/t12?,13-,15?;;;;;/m1...../s1
InChIKeyBLJDNPQOOCQHKZ-DKUMJDFXSA-N
MW418.53 g/mol
LogP9.56
Rot. Bonds2

About cyclopentane;ethane;iron;1-methyl-2-[(1S)-1-(2-methylcyclopentyl)ethyl]benzene

cyclopentane;ethane;iron;1-methyl-2-[(1S)-1-(2-methylcyclopentyl)ethyl]benzene (PubChem CID 162283408) has the molecular formula C26H50Fe and a molecular weight of 418.53 g/mol. Its IUPAC name is cyclopentane;ethane;iron;1-methyl-2-[(1S)-1-(2-methylcyclopentyl)ethyl]benzene.

Molecular Properties

Compound Namecyclopentane;ethane;iron;1-methyl-2-[(1S)-1-(2-methylcyclopentyl)ethyl]benzene
PubChem CID162283408
Molecular FormulaC26H50Fe
Molecular Weight418.53 g/mol
Exact Mass418.33
IUPAC Namecyclopentane;ethane;iron;1-methyl-2-[(1S)-1-(2-methylcyclopentyl)ethyl]benzene
SMILESC1CCCC1.CC.CC.CC.Cc1ccccc1[C@@H](C)C1CCCC1C.[Fe]
InChIInChI=1S/C15H22.C5H10.3C2H6.Fe/c1-11-7-4-5-9-14(11)13(3)15-10-6-8-12(15)2;1-2-4-5-3-1;3*1-2;/h4-5,7,9,12-13,15H,6,8,10H2,1-3H3;1-5H2;3*1-2H3;/t12?,13-,15?;;;;;/m1...../s1
InChIKeyBLJDNPQOOCQHKZ-DKUMJDFXSA-N
XLogP9.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.53
LogP ≤ 59.56
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

(R)-(2-methylcyclopentyl)-(2-methylphenyl)methanol
CID 59207162
(1S)-N,N-dimethyl-1-(2-methylcyclopentyl)-1-(2-methylphenyl)methanamine
CID 58098336
1-(2-methylcyclopentyl)-2-(2-methylphenyl)ethanol
CID 107183436
(4R,5R)-2,2,4-trimethyl-5-[(1S)-1-(2-methylphenyl)ethyl]oxolane
CID 101398624
2-cyclohexyl-2-(2-methylphenyl)acetonitrile
CID 79019577
(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722
(2-fluorophenyl)-(2-methylcyclopentyl)methanamine
CID 107188100
1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene
CID 79418529
3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081561
[2-[(1S)-1-(2-dimethylphosphanylcyclopentyl)ethyl]phenyl]-dimethylphosphane
CID 59893964
2-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropan-1-amine
CID 62397879
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464

Frequently Asked Questions

What is the IUPAC name of cyclopentane;ethane;iron;1-methyl-2-[(1S)-1-(2-methylcyclopentyl)ethyl]benzene?
The IUPAC name of cyclopentane;ethane;iron;1-methyl-2-[(1S)-1-(2-methylcyclopentyl)ethyl]benzene (CID 162283408) is cyclopentane;ethane;iron;1-methyl-2-[(1S)-1-(2-methylcyclopentyl)ethyl]benzene.
What is the SMILES notation for cyclopentane;ethane;iron;1-methyl-2-[(1S)-1-(2-methylcyclopentyl)ethyl]benzene?
The canonical SMILES for cyclopentane;ethane;iron;1-methyl-2-[(1S)-1-(2-methylcyclopentyl)ethyl]benzene is C1CCCC1.CC.CC.CC.Cc1ccccc1[C@@H](C)C1CCCC1C.[Fe].
What is the InChIKey of cyclopentane;ethane;iron;1-methyl-2-[(1S)-1-(2-methylcyclopentyl)ethyl]benzene?
The InChIKey is BLJDNPQOOCQHKZ-DKUMJDFXSA-N. The full InChI is InChI=1S/C15H22.C5H10.3C2H6.Fe/c1-11-7-4-5-9-14(11)13(3)15-10-6-8-12(15)2;1-2-4-5-3-1;3*1-2;/h4-5,7,9,12-13,15H,6,8,10H2,1-3H3;1-5H2;3*1-2H3;/t12?,13-,15?;;;;;/m1...../s1.
What are the key properties of cyclopentane;ethane;iron;1-methyl-2-[(1S)-1-(2-methylcyclopentyl)ethyl]benzene?
cyclopentane;ethane;iron;1-methyl-2-[(1S)-1-(2-methylcyclopentyl)ethyl]benzene has a molecular weight of 418.53 g/mol, XLogP of 9.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;ethane;iron;1-methyl-2-[(1S)-1-(2-methylcyclopentyl)ethyl]benzene is sourced from PubChem (CID 162283408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).