hafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene

C10H16Hf — CID 175743321

IUPAChafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene
SMILESCC1=C2CC(CC1)C2(C)C.[Hf]
InChIInChI=1S/C10H16.Hf/c1-7-4-5-8-6-9(7)10(8,2)3;/h8H,4-6H2,1-3H3;
InChIKeyMESBYVJNBOIUOJ-UHFFFAOYSA-N
MW314.73 g/mol
LogP3.14
Rot. Bonds

About hafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene

hafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene (PubChem CID 175743321) has the molecular formula C10H16Hf and a molecular weight of 314.73 g/mol. Its IUPAC name is hafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene.

Molecular Properties

Compound Namehafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene
PubChem CID175743321
Molecular FormulaC10H16Hf
Molecular Weight314.73 g/mol
Exact Mass316.07
IUPAC Namehafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene
SMILESCC1=C2CC(CC1)C2(C)C.[Hf]
InChIInChI=1S/C10H16.Hf/c1-7-4-5-8-6-9(7)10(8,2)3;/h8H,4-6H2,1-3H3;
InChIKeyMESBYVJNBOIUOJ-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene?
The IUPAC name of hafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene (CID 175743321) is hafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene.
What is the SMILES notation for hafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene?
The canonical SMILES for hafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene is CC1=C2CC(CC1)C2(C)C.[Hf].
What is the InChIKey of hafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene?
The InChIKey is MESBYVJNBOIUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.Hf/c1-7-4-5-8-6-9(7)10(8,2)3;/h8H,4-6H2,1-3H3;.
What are the key properties of hafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene?
hafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene has a molecular weight of 314.73 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;2,6,6-trimethylbicyclo[3.1.1]hept-1-ene is sourced from PubChem (CID 175743321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).