tris(heptane);vanadium

C21H45V-3 — CID 59340167

IUPACtris(heptane);vanadium
SMILES[CH2-]CCCCCC.[CH2-]CCCCCC.[CH2-]CCCCCC.[V]
InChIInChI=1S/3C7H15.V/c3*1-3-5-7-6-4-2;/h3*1,3-7H2,2H3;/q3*-1;
InChIKeyFAPZCWCDWWINEV-UHFFFAOYSA-N
MW348.54 g/mol
LogP8.37
Rot. Bonds12

About tris(heptane);vanadium

tris(heptane);vanadium (PubChem CID 59340167) has the molecular formula C21H45V-3 and a molecular weight of 348.54 g/mol. Its IUPAC name is tris(heptane);vanadium.

Molecular Properties

Compound Nametris(heptane);vanadium
PubChem CID59340167
Molecular FormulaC21H45V-3
Molecular Weight348.54 g/mol
Exact Mass348.30
IUPAC Nametris(heptane);vanadium
SMILES[CH2-]CCCCCC.[CH2-]CCCCCC.[CH2-]CCCCCC.[V]
InChIInChI=1S/3C7H15.V/c3*1-3-5-7-6-4-2;/h3*1,3-7H2,2H3;/q3*-1;
InChIKeyFAPZCWCDWWINEV-UHFFFAOYSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.54
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

heptadecane
CID 156905849
cerium;dodecane
CID 154114371
zinc heptane
CID 4204916
dodecane;zirconium
CID 148549415
bis(octane);zinc
CID 175041964
tetrakis(heptane);zirconium(4+)
CID 154501032
sodium tritriacontane
CID 150964196
lithium tridecane
CID 11321439
manganese;tetradecane
CID 173260191
lithium heptadecane
CID 12950399
tetrakis(dodecane);zirconium(4+)
CID 173426195
hafnium(4+);nonane;trihydroxide
CID 172731149

Frequently Asked Questions

What is the IUPAC name of tris(heptane);vanadium?
The IUPAC name of tris(heptane);vanadium (CID 59340167) is tris(heptane);vanadium.
What is the SMILES notation for tris(heptane);vanadium?
The canonical SMILES for tris(heptane);vanadium is [CH2-]CCCCCC.[CH2-]CCCCCC.[CH2-]CCCCCC.[V].
What is the InChIKey of tris(heptane);vanadium?
The InChIKey is FAPZCWCDWWINEV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H15.V/c3*1-3-5-7-6-4-2;/h3*1,3-7H2,2H3;/q3*-1;.
What are the key properties of tris(heptane);vanadium?
tris(heptane);vanadium has a molecular weight of 348.54 g/mol, XLogP of 8.37, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(heptane);vanadium is sourced from PubChem (CID 59340167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).