heptane;zirconium

C7H16Zr — CID 159449678

IUPACheptane;zirconium
SMILESCCCCCCC.[Zr]
InChIInChI=1S/C7H16.Zr/c1-3-5-7-6-4-2;/h3-7H2,1-2H3;
InChIKeyLTFCPHPHYHBJMT-UHFFFAOYSA-N
MW191.43 g/mol
LogP2.97
Rot. Bonds4

About heptane;zirconium

heptane;zirconium (PubChem CID 159449678) has the molecular formula C7H16Zr and a molecular weight of 191.43 g/mol. Its IUPAC name is heptane;zirconium.

Molecular Properties

Compound Nameheptane;zirconium
PubChem CID159449678
Molecular FormulaC7H16Zr
Molecular Weight191.43 g/mol
Exact Mass190.03
IUPAC Nameheptane;zirconium
SMILESCCCCCCC.[Zr]
InChIInChI=1S/C7H16.Zr/c1-3-5-7-6-4-2;/h3-7H2,1-2H3;
InChIKeyLTFCPHPHYHBJMT-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944
dopentacontahectane
CID 23391374

Frequently Asked Questions

What is the IUPAC name of heptane;zirconium?
The IUPAC name of heptane;zirconium (CID 159449678) is heptane;zirconium.
What is the SMILES notation for heptane;zirconium?
The canonical SMILES for heptane;zirconium is CCCCCCC.[Zr].
What is the InChIKey of heptane;zirconium?
The InChIKey is LTFCPHPHYHBJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.Zr/c1-3-5-7-6-4-2;/h3-7H2,1-2H3;.
What are the key properties of heptane;zirconium?
heptane;zirconium has a molecular weight of 191.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;zirconium is sourced from PubChem (CID 159449678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).