carbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+)

C18H43BFe — CID 162277794

IUPACcarbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+)
SMILESC1CCCC1.CB(C)C1CCCC1.CC.CC.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C7H15B.C5H10.2C2H6.2CH3.Fe/c1-8(2)7-5-3-4-6-7;1-2-4-5-3-1;2*1-2;;;/h7H,3-6H2,1-2H3;1-5H2;2*1-2H3;2*1H3;/q;;;;2*-1;+2
InChIKeyRDVJAQKBBJMFJZ-UHFFFAOYSA-N
MW326.20 g/mol
LogP7.59
Rot. Bonds1

About carbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+)

carbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+) (PubChem CID 162277794) has the molecular formula C18H43BFe and a molecular weight of 326.20 g/mol. Its IUPAC name is carbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+).

Molecular Properties

Compound Namecarbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+)
PubChem CID162277794
Molecular FormulaC18H43BFe
Molecular Weight326.20 g/mol
Exact Mass326.28
IUPAC Namecarbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+)
SMILESC1CCCC1.CB(C)C1CCCC1.CC.CC.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C7H15B.C5H10.2C2H6.2CH3.Fe/c1-8(2)7-5-3-4-6-7;1-2-4-5-3-1;2*1-2;;;/h7H,3-6H2,1-2H3;1-5H2;2*1-2H3;2*1H3;/q;;;;2*-1;+2
InChIKeyRDVJAQKBBJMFJZ-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.20
LogP ≤ 57.59
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'}

Analyze carbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[bis(dicyclohexylboranyl)amino]-cyclohexylboranyl]cyclohexane
CID 175800188
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl(dimethyl)borane
CID 58343701
1,2,3,3a,4,5,6,6a-octahydropentalene;cyclopentane;ethane
CID 161297906
bromo(dicyclohexyl)borane
CID 11010610
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
N-cyclohexylmethanimine;ethane
CID 91081056
1-cyclooctyl-5-methylcyclooctane;ethane
CID 157211813
1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)
CID 159863371
carbanide;bis(cyclopentane);iron(2+)
CID 162297433

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+)?
The IUPAC name of carbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+) (CID 162277794) is carbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+).
What is the SMILES notation for carbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+)?
The canonical SMILES for carbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+) is C1CCCC1.CB(C)C1CCCC1.CC.CC.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of carbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+)?
The InChIKey is RDVJAQKBBJMFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15B.C5H10.2C2H6.2CH3.Fe/c1-8(2)7-5-3-4-6-7;1-2-4-5-3-1;2*1-2;;;/h7H,3-6H2,1-2H3;1-5H2;2*1-2H3;2*1H3;/q;;;;2*-1;+2.
What are the key properties of carbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+)?
carbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+) has a molecular weight of 326.20 g/mol, XLogP of 7.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+) is sourced from PubChem (CID 162277794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).