bis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+)

C20H30Ru — CID 142741028

IUPACbis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+)
SMILESC[C-]1C=CC(C(C)C)=CC1.C[C-]1C=CC(C(C)C)=CC1.[Ru+2]
InChIInChI=1S/2C10H15.Ru/c2*1-8(2)10-6-4-9(3)5-7-10;/h2*4,6-8H,5H2,1-3H3;/q2*-1;+2
InChIKeyPBTBOKHUKCFTBD-UHFFFAOYSA-N
MW371.53 g/mol
LogP6.24
Rot. Bonds2

About bis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+)

bis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+) (PubChem CID 142741028) has the molecular formula C20H30Ru and a molecular weight of 371.53 g/mol. Its IUPAC name is bis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+).

Molecular Properties

Compound Namebis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+)
PubChem CID142741028
Molecular FormulaC20H30Ru
Molecular Weight371.53 g/mol
Exact Mass372.14
IUPAC Namebis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+)
SMILESC[C-]1C=CC(C(C)C)=CC1.C[C-]1C=CC(C(C)C)=CC1.[Ru+2]
InChIInChI=1S/2C10H15.Ru/c2*1-8(2)10-6-4-9(3)5-7-10;/h2*4,6-8H,5H2,1-3H3;/q2*-1;+2
InChIKeyPBTBOKHUKCFTBD-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.53
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hafnium;2-propan-2-ylcyclopenta-1,3-diene
CID 175311105
N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 134375617
5-propan-2-ylcyclohepta-1,4,6-trien-1-amine
CID 143544786
4-propan-2-ylcyclohexa-2,4-dien-1-ol
CID 139242852
N,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine
CID 176964136
hafnium(4+);bis(2-propan-2-ylcyclopenta-1,3-diene);dichloride
CID 174990911
bis(2-propan-2-ylcyclopenta-1,3-diene);zirconium(4+);dichloride
CID 174990964
2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 154520136
3-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 146359524
4,6-di(propan-2-yl)-1,2-dihydropyridine
CID 167420607
N-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine
CID 137439340
3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole
CID 170043562

Frequently Asked Questions

What is the IUPAC name of bis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+)?
The IUPAC name of bis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+) (CID 142741028) is bis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+).
What is the SMILES notation for bis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+)?
The canonical SMILES for bis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+) is C[C-]1C=CC(C(C)C)=CC1.C[C-]1C=CC(C(C)C)=CC1.[Ru+2].
What is the InChIKey of bis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+)?
The InChIKey is PBTBOKHUKCFTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.Ru/c2*1-8(2)10-6-4-9(3)5-7-10;/h2*4,6-8H,5H2,1-3H3;/q2*-1;+2.
What are the key properties of bis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+)?
bis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+) has a molecular weight of 371.53 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+) is sourced from PubChem (CID 142741028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).