dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium

C11H12Cl2O2Ru — CID 140664604

IUPACdichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium
SMILESCC(C)Oc1ccc(C=O)cc1C=[Ru](Cl)Cl
InChIInChI=1S/C11H12O2.2ClH.Ru/c1-8(2)13-11-5-4-10(7-12)6-9(11)3;;;/h3-8H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeySEZCWOMCSXIRID-UHFFFAOYSA-L
MW348.19 g/mol
LogP3.36
Rot. Bonds4

About dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium

dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium (PubChem CID 140664604) has the molecular formula C11H12Cl2O2Ru and a molecular weight of 348.19 g/mol. Its IUPAC name is dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium.

Molecular Properties

Compound Namedichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium
PubChem CID140664604
Molecular FormulaC11H12Cl2O2Ru
Molecular Weight348.19 g/mol
Exact Mass347.93
IUPAC Namedichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium
SMILESCC(C)Oc1ccc(C=O)cc1C=[Ru](Cl)Cl
InChIInChI=1S/C11H12O2.2ClH.Ru/c1-8(2)13-11-5-4-10(7-12)6-9(11)3;;;/h3-8H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeySEZCWOMCSXIRID-UHFFFAOYSA-L
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 153434955
dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium
CID 167346276
dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium
CID 59273370
carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 20816790
3-bromo-4-propan-2-yloxybenzaldehyde
CID 3832843
4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde
CID 21187955
dichloro-[[5-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 135024694
dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 140726756
dichloro-[[2-propan-2-yloxy-5-[(3,3,3-trifluoro-2-oxopropanoyl)amino]phenyl]methylidene]ruthenium
CID 59273372
3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde
CID 164893527
dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 59273360
dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 59154106

Frequently Asked Questions

What is the IUPAC name of dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium?
The IUPAC name of dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium (CID 140664604) is dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium.
What is the SMILES notation for dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium?
The canonical SMILES for dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium is CC(C)Oc1ccc(C=O)cc1C=[Ru](Cl)Cl.
What is the InChIKey of dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium?
The InChIKey is SEZCWOMCSXIRID-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H12O2.2ClH.Ru/c1-8(2)13-11-5-4-10(7-12)6-9(11)3;;;/h3-8H,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium?
dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium has a molecular weight of 348.19 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium is sourced from PubChem (CID 140664604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).