zinc;carbanide;pentane

C6H14Zn — CID 59938610

IUPACzinc;carbanide;pentane
SMILES[CH2-]CCCC.[CH3-].[Zn+2]
InChIInChI=1S/C5H11.CH3.Zn/c1-3-5-4-2;;/h1,3-5H2,2H3;1H3;/q2*-1;+2
InChIKeyKLYHKSKMSSHVQG-UHFFFAOYSA-N
MW151.57 g/mol
LogP2.46
Rot. Bonds2

About zinc;carbanide;pentane

zinc;carbanide;pentane (PubChem CID 59938610) has the molecular formula C6H14Zn and a molecular weight of 151.57 g/mol. Its IUPAC name is zinc;carbanide;pentane.

Molecular Properties

Compound Namezinc;carbanide;pentane
PubChem CID59938610
Molecular FormulaC6H14Zn
Molecular Weight151.57 g/mol
Exact Mass150.04
IUPAC Namezinc;carbanide;pentane
SMILES[CH2-]CCCC.[CH3-].[Zn+2]
InChIInChI=1S/C5H11.CH3.Zn/c1-3-5-4-2;;/h1,3-5H2,2H3;1H3;/q2*-1;+2
InChIKeyKLYHKSKMSSHVQG-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 ≤ 500151.57
LogP ≤ 52.46
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'}

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Related Compounds

carbanide;iridium(3+);pentane
CID 23526392
carbanide;gadolinium(2+);pentane
CID 174464461
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
zinc heptane
CID 4204916
magnesium;hexane;pentane
CID 19799394
dilithium;carbanide;hexane
CID 174334686
zinc;decane;iodide
CID 24941167
dichlorotitanium;bis(pentane)
CID 18688492

Frequently Asked Questions

What is the IUPAC name of zinc;carbanide;pentane?
The IUPAC name of zinc;carbanide;pentane (CID 59938610) is zinc;carbanide;pentane.
What is the SMILES notation for zinc;carbanide;pentane?
The canonical SMILES for zinc;carbanide;pentane is [CH2-]CCCC.[CH3-].[Zn+2].
What is the InChIKey of zinc;carbanide;pentane?
The InChIKey is KLYHKSKMSSHVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.CH3.Zn/c1-3-5-4-2;;/h1,3-5H2,2H3;1H3;/q2*-1;+2.
What are the key properties of zinc;carbanide;pentane?
zinc;carbanide;pentane has a molecular weight of 151.57 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 zinc;carbanide;pentane is sourced from PubChem (CID 59938610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).