carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium

C11H15Cl2ORu- — CID 20816790

IUPACcarbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
SMILESCC(C)Oc1ccccc1C=[Ru](Cl)Cl.[CH3-]
InChIInChI=1S/C10H12O.CH3.2ClH.Ru/c1-8(2)11-10-7-5-4-6-9(10)3;;;;/h3-8H,1-2H3;1H3;2*1H;/q;-1;;;+2/p-2
InChIKeyOUTJCXGHEQFMIA-UHFFFAOYSA-L
MW335.22 g/mol
LogP4.00
Rot. Bonds3

About carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium

carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium (PubChem CID 20816790) has the molecular formula C11H15Cl2ORu- and a molecular weight of 335.22 g/mol. Its IUPAC name is carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium.

Molecular Properties

Compound Namecarbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
PubChem CID20816790
Molecular FormulaC11H15Cl2ORu-
Molecular Weight335.22 g/mol
Exact Mass334.95
IUPAC Namecarbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
SMILESCC(C)Oc1ccccc1C=[Ru](Cl)Cl.[CH3-]
InChIInChI=1S/C10H12O.CH3.2ClH.Ru/c1-8(2)11-10-7-5-4-6-9(10)3;;;;/h3-8H,1-2H3;1H3;2*1H;/q;-1;;;+2/p-2
InChIKeyOUTJCXGHEQFMIA-UHFFFAOYSA-L
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 153434955
dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
CID 20767012
dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;N-[[2,6-di(propan-2-yl)phenoxy]methyl]-N-propan-2-ylaniline
CID 156681908
dichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium
CID 157139251
dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 140664604
1-benzyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 153489728
1-methyl-2-propan-2-yloxybenzene;trichlororuthenium
CID 175208112
CID 168890158
CID 168890158
dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium
CID 167346276
CID 58568218
CID 58568218
N-methoxy-1-(2-propan-2-yloxyphenyl)methanimine
CID 73094502
dichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium
CID 140664640

Frequently Asked Questions

What is the IUPAC name of carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium?
The IUPAC name of carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium (CID 20816790) is carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium.
What is the SMILES notation for carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium?
The canonical SMILES for carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium is CC(C)Oc1ccccc1C=[Ru](Cl)Cl.[CH3-].
What is the InChIKey of carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium?
The InChIKey is OUTJCXGHEQFMIA-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H12O.CH3.2ClH.Ru/c1-8(2)11-10-7-5-4-6-9(10)3;;;;/h3-8H,1-2H3;1H3;2*1H;/q;-1;;;+2/p-2.
What are the key properties of carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium?
carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium has a molecular weight of 335.22 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium is sourced from PubChem (CID 20816790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).