3-methylpent-2-ene;zirconium

C6H12Zr — CID 174393280

IUPAC3-methylpent-2-ene;zirconium
SMILESCC=C(C)CC.[Zr]
InChIInChI=1S/C6H12.Zr/c1-4-6(3)5-2;/h4H,5H2,1-3H3;
InChIKeyYPMOBWRCJJVGRI-UHFFFAOYSA-N
MW175.39 g/mol
LogP2.36
Rot. Bonds1

About 3-methylpent-2-ene;zirconium

3-methylpent-2-ene;zirconium (PubChem CID 174393280) has the molecular formula C6H12Zr and a molecular weight of 175.39 g/mol. Its IUPAC name is 3-methylpent-2-ene;zirconium.

Molecular Properties

Compound Name3-methylpent-2-ene;zirconium
PubChem CID174393280
Molecular FormulaC6H12Zr
Molecular Weight175.39 g/mol
Exact Mass174.00
IUPAC Name3-methylpent-2-ene;zirconium
SMILESCC=C(C)CC.[Zr]
InChIInChI=1S/C6H12.Zr/c1-4-6(3)5-2;/h4H,5H2,1-3H3;
InChIKeyYPMOBWRCJJVGRI-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
ethane;(E)-3-methylpent-2-ene
CID 144523626
ethane;3-methylpent-2-ene;propane
CID 144514263
butane;ethane;3-methylpent-2-ene
CID 145294341
methane;(Z)-3-methylpent-2-ene;prop-1-ene
CID 142993133
ethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene
CID 143341985
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
(E)-1-bromo-2-methylbut-1-ene
CID 14503597
1-bromo-2-methylbut-1-ene
CID 54097343
2,5-dimethylhepta-2,4-diene
CID 54097255
methane;(Z)-3-methylhex-3-ene
CID 168892321
methane;(E)-3-methylhex-3-ene
CID 157350431

Frequently Asked Questions

What is the IUPAC name of 3-methylpent-2-ene;zirconium?
The IUPAC name of 3-methylpent-2-ene;zirconium (CID 174393280) is 3-methylpent-2-ene;zirconium.
What is the SMILES notation for 3-methylpent-2-ene;zirconium?
The canonical SMILES for 3-methylpent-2-ene;zirconium is CC=C(C)CC.[Zr].
What is the InChIKey of 3-methylpent-2-ene;zirconium?
The InChIKey is YPMOBWRCJJVGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.Zr/c1-4-6(3)5-2;/h4H,5H2,1-3H3;.
What are the key properties of 3-methylpent-2-ene;zirconium?
3-methylpent-2-ene;zirconium has a molecular weight of 175.39 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpent-2-ene;zirconium is sourced from PubChem (CID 174393280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).