ruthenium(2+);tricyclohexyl(ethoxymethylidene)-λ5-phosphane;dichloride

C21H39Cl2OPRu — CID 173138141

IUPACruthenium(2+);tricyclohexyl(ethoxymethylidene)-λ5-phosphane;dichloride
SMILESCCOC=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C21H39OP.2ClH.Ru/c1-2-22-18-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;;;/h18-21H,2-17H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyLQVQTGNXUCUDLG-UHFFFAOYSA-L
MW510.49 g/mol
LogP0.80
Rot. Bonds5

About ruthenium(2+);tricyclohexyl(ethoxymethylidene)-λ5-phosphane;dichloride

ruthenium(2+);tricyclohexyl(ethoxymethylidene)-λ5-phosphane;dichloride (PubChem CID 173138141) has the molecular formula C21H39Cl2OPRu and a molecular weight of 510.49 g/mol. Its IUPAC name is ruthenium(2+);tricyclohexyl(ethoxymethylidene)-λ5-phosphane;dichloride.

Molecular Properties

Compound Nameruthenium(2+);tricyclohexyl(ethoxymethylidene)-λ5-phosphane;dichloride
PubChem CID173138141
Molecular FormulaC21H39Cl2OPRu
Molecular Weight510.49 g/mol
Exact Mass510.12
IUPAC Nameruthenium(2+);tricyclohexyl(ethoxymethylidene)-λ5-phosphane;dichloride
SMILESCCOC=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C21H39OP.2ClH.Ru/c1-2-22-18-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;;;/h18-21H,2-17H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyLQVQTGNXUCUDLG-UHFFFAOYSA-L
XLogP0.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.49
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
CID 87645373
cyclohexanecarbaldehyde;ethyl formate
CID 175526920
[ethoxy(ethyl)phosphoryl]cyclohexane
CID 66729675
ethoxymethylcyclooctane
CID 70370569
2-ethoxypropylcyclohexane
CID 57126788
[ethyl(methoxy)phosphoryl]cyclohexane
CID 66729718
cyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane
CID 11864446
[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
ethoxycyclooctane
CID 13427982
[cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane
CID 88546870
ethyl formate;(2-methylpropan-2-yl)oxycyclohexane
CID 143998668

Frequently Asked Questions

What is the IUPAC name of ruthenium(2+);tricyclohexyl(ethoxymethylidene)-λ5-phosphane;dichloride?
The IUPAC name of ruthenium(2+);tricyclohexyl(ethoxymethylidene)-λ5-phosphane;dichloride (CID 173138141) is ruthenium(2+);tricyclohexyl(ethoxymethylidene)-λ5-phosphane;dichloride.
What is the SMILES notation for ruthenium(2+);tricyclohexyl(ethoxymethylidene)-λ5-phosphane;dichloride?
The canonical SMILES for ruthenium(2+);tricyclohexyl(ethoxymethylidene)-λ5-phosphane;dichloride is CCOC=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Cl-].[Cl-].[Ru+2].
What is the InChIKey of ruthenium(2+);tricyclohexyl(ethoxymethylidene)-λ5-phosphane;dichloride?
The InChIKey is LQVQTGNXUCUDLG-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H39OP.2ClH.Ru/c1-2-22-18-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;;;/h18-21H,2-17H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of ruthenium(2+);tricyclohexyl(ethoxymethylidene)-λ5-phosphane;dichloride?
ruthenium(2+);tricyclohexyl(ethoxymethylidene)-λ5-phosphane;dichloride has a molecular weight of 510.49 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ruthenium(2+);tricyclohexyl(ethoxymethylidene)-λ5-phosphane;dichloride is sourced from PubChem (CID 173138141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).