carbon monoxide;hydride;ruthenium(2+);bis(tricyclopentylphosphane);formate

C32H56O3P2Ru — CID 139122975

IUPACcarbon monoxide;hydride;ruthenium(2+);bis(tricyclopentylphosphane);formate
SMILESC1CCC(P(C2CCCC2)C2CCCC2)C1.C1CCC(P(C2CCCC2)C2CCCC2)C1.O=C[O-].[C-]#[O+].[H-].[Ru+2]
InChIInChI=1S/2C15H27P.CH2O2.CO.Ru.H/c2*1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;2-1-3;1-2;;/h2*13-15H,1-12H2;1H,(H,2,3);;;/q;;;;+2;-1/p-1
InChIKeyBXXVQDBDJGGYLE-UHFFFAOYSA-M
MW651.81 g/mol
LogP9.03
Rot. Bonds6

About carbon monoxide;hydride;ruthenium(2+);bis(tricyclopentylphosphane);formate

carbon monoxide;hydride;ruthenium(2+);bis(tricyclopentylphosphane);formate (PubChem CID 139122975) has the molecular formula C32H56O3P2Ru and a molecular weight of 651.81 g/mol. Its IUPAC name is carbon monoxide;hydride;ruthenium(2+);bis(tricyclopentylphosphane);formate.

Molecular Properties

Compound Namecarbon monoxide;hydride;ruthenium(2+);bis(tricyclopentylphosphane);formate
PubChem CID139122975
Molecular FormulaC32H56O3P2Ru
Molecular Weight651.81 g/mol
Exact Mass652.27
IUPAC Namecarbon monoxide;hydride;ruthenium(2+);bis(tricyclopentylphosphane);formate
SMILESC1CCC(P(C2CCCC2)C2CCCC2)C1.C1CCC(P(C2CCCC2)C2CCCC2)C1.O=C[O-].[C-]#[O+].[H-].[Ru+2]
InChIInChI=1S/2C15H27P.CH2O2.CO.Ru.H/c2*1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;2-1-3;1-2;;/h2*13-15H,1-12H2;1H,(H,2,3);;;/q;;;;+2;-1/p-1
InChIKeyBXXVQDBDJGGYLE-UHFFFAOYSA-M
XLogP9.03
TPSA60.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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tri(cyclododecyl)phosphane
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CID 11297590
gold(1+);tricyclohexylphosphane
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bis(dicyclohexyl(cyclopentyl)phosphane);iron
CID 44558250
phosphane;tricyclohexylphosphane
CID 87084185
silane;tricyclohexylphosphane
CID 158384701
cobalt(2+);bis(tricyclohexylphosphane);dichloride
CID 171703558
CID 46216941
CID 46216941
palladium(2+);bis(tricyclohexylphosphane);diacetate
CID 11983532

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;hydride;ruthenium(2+);bis(tricyclopentylphosphane);formate?
The IUPAC name of carbon monoxide;hydride;ruthenium(2+);bis(tricyclopentylphosphane);formate (CID 139122975) is carbon monoxide;hydride;ruthenium(2+);bis(tricyclopentylphosphane);formate.
What is the SMILES notation for carbon monoxide;hydride;ruthenium(2+);bis(tricyclopentylphosphane);formate?
The canonical SMILES for carbon monoxide;hydride;ruthenium(2+);bis(tricyclopentylphosphane);formate is C1CCC(P(C2CCCC2)C2CCCC2)C1.C1CCC(P(C2CCCC2)C2CCCC2)C1.O=C[O-].[C-]#[O+].[H-].[Ru+2].
What is the InChIKey of carbon monoxide;hydride;ruthenium(2+);bis(tricyclopentylphosphane);formate?
The InChIKey is BXXVQDBDJGGYLE-UHFFFAOYSA-M. The full InChI is InChI=1S/2C15H27P.CH2O2.CO.Ru.H/c2*1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;2-1-3;1-2;;/h2*13-15H,1-12H2;1H,(H,2,3);;;/q;;;;+2;-1/p-1.
What are the key properties of carbon monoxide;hydride;ruthenium(2+);bis(tricyclopentylphosphane);formate?
carbon monoxide;hydride;ruthenium(2+);bis(tricyclopentylphosphane);formate has a molecular weight of 651.81 g/mol, XLogP of 9.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;hydride;ruthenium(2+);bis(tricyclopentylphosphane);formate is sourced from PubChem (CID 139122975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).