dichloro-[(E)-5-phenylpent-4-enylidene]ruthenium

C11H12Cl2Ru — CID 23519266

IUPACdichloro-[(E)-5-phenylpent-4-enylidene]ruthenium
SMILESCl[Ru](Cl)=CCC/C=C/c1ccccc1
InChIInChI=1S/C11H12.2ClH.Ru/c1-2-3-5-8-11-9-6-4-7-10-11;;;/h1,4-10H,2-3H2;2*1H;/q;;;+2/p-2/b8-5+;;;
InChIKeyIHSLHBVBHFKVAE-JNSJFKBPSA-L
MW316.19 g/mol
LogP4.21
Rot. Bonds4

About dichloro-[(E)-5-phenylpent-4-enylidene]ruthenium

dichloro-[(E)-5-phenylpent-4-enylidene]ruthenium (PubChem CID 23519266) has the molecular formula C11H12Cl2Ru and a molecular weight of 316.19 g/mol. Its IUPAC name is dichloro-[(E)-5-phenylpent-4-enylidene]ruthenium.

Molecular Properties

Compound Namedichloro-[(E)-5-phenylpent-4-enylidene]ruthenium
PubChem CID23519266
Molecular FormulaC11H12Cl2Ru
Molecular Weight316.19 g/mol
Exact Mass315.94
IUPAC Namedichloro-[(E)-5-phenylpent-4-enylidene]ruthenium
SMILESCl[Ru](Cl)=CCC/C=C/c1ccccc1
InChIInChI=1S/C11H12.2ClH.Ru/c1-2-3-5-8-11-9-6-4-7-10-11;;;/h1,4-10H,2-3H2;2*1H;/q;;;+2/p-2/b8-5+;;;
InChIKeyIHSLHBVBHFKVAE-JNSJFKBPSA-L
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-phenylpent-4-enal
CID 11105652
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CID 88613948
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium
CID 15529550
[(E)-3-chloroprop-1-enyl]benzene;hydron
CID 174539817
[(E)-5-bromopent-1-enyl]benzene
CID 10977131
[(E)-5-iodopent-1-enyl]benzene
CID 87330563
ethane;[(1E,5Z)-hepta-1,5-dienyl]benzene;methoxymethane
CID 143006426
dichloromethyl(4-phenylbut-3-enyl)silane
CID 131722819
(2E,6Z)-7-phenylhepta-2,6-dienamide
CID 70372296
[(E)-6-bromohex-1-enyl]benzene
CID 11172477

Frequently Asked Questions

What is the IUPAC name of dichloro-[(E)-5-phenylpent-4-enylidene]ruthenium?
The IUPAC name of dichloro-[(E)-5-phenylpent-4-enylidene]ruthenium (CID 23519266) is dichloro-[(E)-5-phenylpent-4-enylidene]ruthenium.
What is the SMILES notation for dichloro-[(E)-5-phenylpent-4-enylidene]ruthenium?
The canonical SMILES for dichloro-[(E)-5-phenylpent-4-enylidene]ruthenium is Cl[Ru](Cl)=CCC/C=C/c1ccccc1.
What is the InChIKey of dichloro-[(E)-5-phenylpent-4-enylidene]ruthenium?
The InChIKey is IHSLHBVBHFKVAE-JNSJFKBPSA-L. The full InChI is InChI=1S/C11H12.2ClH.Ru/c1-2-3-5-8-11-9-6-4-7-10-11;;;/h1,4-10H,2-3H2;2*1H;/q;;;+2/p-2/b8-5+;;;.
What are the key properties of dichloro-[(E)-5-phenylpent-4-enylidene]ruthenium?
dichloro-[(E)-5-phenylpent-4-enylidene]ruthenium has a molecular weight of 316.19 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[(E)-5-phenylpent-4-enylidene]ruthenium is sourced from PubChem (CID 23519266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).