cyclopentane;dichloro-[[5-[3-[(1R)-2-[(E)-3-[chloro(dimethyl)silyl]prop-1-enyl]-5-ethenylcyclopentyl]oxy-3-oxopropyl]-2-propan-2-yloxyphenyl]methylidene]ruthenium

C30H44Cl3O3RuSi- — CID 59582535

IUPACcyclopentane;dichloro-[[5-[3-[(1R)-2-[(E)-3-[chloro(dimethyl)silyl]prop-1-enyl]-5-ethenylcyclopentyl]oxy-3-oxopropyl]-2-propan-2-yloxyphenyl]methylidene]ruthenium
SMILESC=CC1CCC(/C=C/C[Si](C)(C)Cl)[C@@H]1OC(=O)CCc1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1.[CH-]1CCCC1
InChIInChI=1S/C25H35ClO3Si.C5H9.2ClH.Ru/c1-7-21-12-13-22(9-8-16-30(5,6)26)25(21)29-24(27)15-11-20-10-14-23(19(4)17-20)28-18(2)3;1-2-4-5-3-1;;;/h4,7-10,14,17-18,21-22,25H,1,11-13,15-16H2,2-3,5-6H3;1H,2-5H2;2*1H;/q;-1;;;+2/p-2/b9-8+;;;;/t21?,22?,25-;;;;/m1..../s1
InChIKeyZGGUKNYTOTUIKP-PNXBDJHVSA-L
MW688.19 g/mol
LogP9.37
Rot. Bonds11

About cyclopentane;dichloro-[[5-[3-[(1R)-2-[(E)-3-[chloro(dimethyl)silyl]prop-1-enyl]-5-ethenylcyclopentyl]oxy-3-oxopropyl]-2-propan-2-yloxyphenyl]methylidene]ruthenium

cyclopentane;dichloro-[[5-[3-[(1R)-2-[(E)-3-[chloro(dimethyl)silyl]prop-1-enyl]-5-ethenylcyclopentyl]oxy-3-oxopropyl]-2-propan-2-yloxyphenyl]methylidene]ruthenium (PubChem CID 59582535) has the molecular formula C30H44Cl3O3RuSi- and a molecular weight of 688.19 g/mol. Its IUPAC name is cyclopentane;dichloro-[[5-[3-[(1R)-2-[(E)-3-[chloro(dimethyl)silyl]prop-1-enyl]-5-ethenylcyclopentyl]oxy-3-oxopropyl]-2-propan-2-yloxyphenyl]methylidene]ruthenium.

Molecular Properties

Compound Namecyclopentane;dichloro-[[5-[3-[(1R)-2-[(E)-3-[chloro(dimethyl)silyl]prop-1-enyl]-5-ethenylcyclopentyl]oxy-3-oxopropyl]-2-propan-2-yloxyphenyl]methylidene]ruthenium
PubChem CID59582535
Molecular FormulaC30H44Cl3O3RuSi-
Molecular Weight688.19 g/mol
Exact Mass687.12
IUPAC Namecyclopentane;dichloro-[[5-[3-[(1R)-2-[(E)-3-[chloro(dimethyl)silyl]prop-1-enyl]-5-ethenylcyclopentyl]oxy-3-oxopropyl]-2-propan-2-yloxyphenyl]methylidene]ruthenium
SMILESC=CC1CCC(/C=C/C[Si](C)(C)Cl)[C@@H]1OC(=O)CCc1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1.[CH-]1CCCC1
InChIInChI=1S/C25H35ClO3Si.C5H9.2ClH.Ru/c1-7-21-12-13-22(9-8-16-30(5,6)26)25(21)29-24(27)15-11-20-10-14-23(19(4)17-20)28-18(2)3;1-2-4-5-3-1;;;/h4,7-10,14,17-18,21-22,25H,1,11-13,15-16H2,2-3,5-6H3;1H,2-5H2;2*1H;/q;-1;;;+2/p-2/b9-8+;;;;/t21?,22?,25-;;;;/m1..../s1
InChIKeyZGGUKNYTOTUIKP-PNXBDJHVSA-L
XLogP9.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.19
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;dichloro-[[5-[3-[(1R)-2-[(E)-3-[chloro(dimethyl)silyl]prop-1-enyl]-5-ethenylcyclopentyl]oxy-3-oxopropyl]-2-propan-2-yloxyphenyl]methylidene]ruthenium?
The IUPAC name of cyclopentane;dichloro-[[5-[3-[(1R)-2-[(E)-3-[chloro(dimethyl)silyl]prop-1-enyl]-5-ethenylcyclopentyl]oxy-3-oxopropyl]-2-propan-2-yloxyphenyl]methylidene]ruthenium (CID 59582535) is cyclopentane;dichloro-[[5-[3-[(1R)-2-[(E)-3-[chloro(dimethyl)silyl]prop-1-enyl]-5-ethenylcyclopentyl]oxy-3-oxopropyl]-2-propan-2-yloxyphenyl]methylidene]ruthenium.
What is the SMILES notation for cyclopentane;dichloro-[[5-[3-[(1R)-2-[(E)-3-[chloro(dimethyl)silyl]prop-1-enyl]-5-ethenylcyclopentyl]oxy-3-oxopropyl]-2-propan-2-yloxyphenyl]methylidene]ruthenium?
The canonical SMILES for cyclopentane;dichloro-[[5-[3-[(1R)-2-[(E)-3-[chloro(dimethyl)silyl]prop-1-enyl]-5-ethenylcyclopentyl]oxy-3-oxopropyl]-2-propan-2-yloxyphenyl]methylidene]ruthenium is C=CC1CCC(/C=C/C[Si](C)(C)Cl)[C@@H]1OC(=O)CCc1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1.[CH-]1CCCC1.
What is the InChIKey of cyclopentane;dichloro-[[5-[3-[(1R)-2-[(E)-3-[chloro(dimethyl)silyl]prop-1-enyl]-5-ethenylcyclopentyl]oxy-3-oxopropyl]-2-propan-2-yloxyphenyl]methylidene]ruthenium?
The InChIKey is ZGGUKNYTOTUIKP-PNXBDJHVSA-L. The full InChI is InChI=1S/C25H35ClO3Si.C5H9.2ClH.Ru/c1-7-21-12-13-22(9-8-16-30(5,6)26)25(21)29-24(27)15-11-20-10-14-23(19(4)17-20)28-18(2)3;1-2-4-5-3-1;;;/h4,7-10,14,17-18,21-22,25H,1,11-13,15-16H2,2-3,5-6H3;1H,2-5H2;2*1H;/q;-1;;;+2/p-2/b9-8+;;;;/t21?,22?,25-;;;;/m1..../s1.
What are the key properties of cyclopentane;dichloro-[[5-[3-[(1R)-2-[(E)-3-[chloro(dimethyl)silyl]prop-1-enyl]-5-ethenylcyclopentyl]oxy-3-oxopropyl]-2-propan-2-yloxyphenyl]methylidene]ruthenium?
cyclopentane;dichloro-[[5-[3-[(1R)-2-[(E)-3-[chloro(dimethyl)silyl]prop-1-enyl]-5-ethenylcyclopentyl]oxy-3-oxopropyl]-2-propan-2-yloxyphenyl]methylidene]ruthenium has a molecular weight of 688.19 g/mol, XLogP of 9.37, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;dichloro-[[5-[3-[(1R)-2-[(E)-3-[chloro(dimethyl)silyl]prop-1-enyl]-5-ethenylcyclopentyl]oxy-3-oxopropyl]-2-propan-2-yloxyphenyl]methylidene]ruthenium is sourced from PubChem (CID 59582535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).