carbanide;gadolinium(2+);pentane

C6H14Gd — CID 174464461

IUPACcarbanide;gadolinium(2+);pentane
SMILES[CH2-]CCCC.[CH3-].[Gd+2]
InChIInChI=1S/C5H11.CH3.Gd/c1-3-5-4-2;;/h1,3-5H2,2H3;1H3;/q2*-1;+2
InChIKeyOPJRURADHPKBKV-UHFFFAOYSA-N
MW243.43 g/mol
LogP2.46
Rot. Bonds2

About carbanide;gadolinium(2+);pentane

carbanide;gadolinium(2+);pentane (PubChem CID 174464461) has the molecular formula C6H14Gd and a molecular weight of 243.43 g/mol. Its IUPAC name is carbanide;gadolinium(2+);pentane.

Molecular Properties

Compound Namecarbanide;gadolinium(2+);pentane
PubChem CID174464461
Molecular FormulaC6H14Gd
Molecular Weight243.43 g/mol
Exact Mass244.03
IUPAC Namecarbanide;gadolinium(2+);pentane
SMILES[CH2-]CCCC.[CH3-].[Gd+2]
InChIInChI=1S/C5H11.CH3.Gd/c1-3-5-4-2;;/h1,3-5H2,2H3;1H3;/q2*-1;+2
InChIKeyOPJRURADHPKBKV-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

zinc;carbanide;pentane
CID 59938610
carbanide;iridium(3+);pentane
CID 23526392
magnesium;carbanide;pentane;hydrobromide
CID 118089273
potassium pentane
CID 23495497
carbanide;ethane;bis(pentane);bis(titanium(3+));hydrate
CID 88509419
palladium(2+);pentane;chloride
CID 88629932
iodotitanium(3+);tris(pentane)
CID 18688406
magnesium;hexane;pentane
CID 19799394
dilithium;carbanide;hexane
CID 174334686
dichlorotitanium;bis(pentane)
CID 18688492
heptadecane
CID 156905849
magnesium;methanidyl(trimethyl)silane;pentane
CID 19977373

Frequently Asked Questions

What is the IUPAC name of carbanide;gadolinium(2+);pentane?
The IUPAC name of carbanide;gadolinium(2+);pentane (CID 174464461) is carbanide;gadolinium(2+);pentane.
What is the SMILES notation for carbanide;gadolinium(2+);pentane?
The canonical SMILES for carbanide;gadolinium(2+);pentane is [CH2-]CCCC.[CH3-].[Gd+2].
What is the InChIKey of carbanide;gadolinium(2+);pentane?
The InChIKey is OPJRURADHPKBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.CH3.Gd/c1-3-5-4-2;;/h1,3-5H2,2H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;gadolinium(2+);pentane?
carbanide;gadolinium(2+);pentane has a molecular weight of 243.43 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;gadolinium(2+);pentane is sourced from PubChem (CID 174464461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).