acetic acid;cyclopentane;ruthenium(1+);triphenylphosphane

C25H29O2PRu+ — CID 23229150

IUPACacetic acid;cyclopentane;ruthenium(1+);triphenylphosphane
SMILESC1CCCC1.CC(=O)O.[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H10.C2H4O2.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-2(3)4;/h1-15H;1-5H2;1H3,(H,3,4);/q;;;+1
InChIKeyXWXHWVABHLPYHK-UHFFFAOYSA-N
MW493.55 g/mol
LogP5.48
Rot. Bonds3

About acetic acid;cyclopentane;ruthenium(1+);triphenylphosphane

acetic acid;cyclopentane;ruthenium(1+);triphenylphosphane (PubChem CID 23229150) has the molecular formula C25H29O2PRu+ and a molecular weight of 493.55 g/mol. Its IUPAC name is acetic acid;cyclopentane;ruthenium(1+);triphenylphosphane.

Molecular Properties

Compound Nameacetic acid;cyclopentane;ruthenium(1+);triphenylphosphane
PubChem CID23229150
Molecular FormulaC25H29O2PRu+
Molecular Weight493.55 g/mol
Exact Mass494.09
IUPAC Nameacetic acid;cyclopentane;ruthenium(1+);triphenylphosphane
SMILESC1CCCC1.CC(=O)O.[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H10.C2H4O2.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-2(3)4;/h1-15H;1-5H2;1H3,(H,3,4);/q;;;+1
InChIKeyXWXHWVABHLPYHK-UHFFFAOYSA-N
XLogP5.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.55
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;cyclopentane;ruthenium(1+);triphenylphosphane?
The IUPAC name of acetic acid;cyclopentane;ruthenium(1+);triphenylphosphane (CID 23229150) is acetic acid;cyclopentane;ruthenium(1+);triphenylphosphane.
What is the SMILES notation for acetic acid;cyclopentane;ruthenium(1+);triphenylphosphane?
The canonical SMILES for acetic acid;cyclopentane;ruthenium(1+);triphenylphosphane is C1CCCC1.CC(=O)O.[Ru+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of acetic acid;cyclopentane;ruthenium(1+);triphenylphosphane?
The InChIKey is XWXHWVABHLPYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C5H10.C2H4O2.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-2(3)4;/h1-15H;1-5H2;1H3,(H,3,4);/q;;;+1.
What are the key properties of acetic acid;cyclopentane;ruthenium(1+);triphenylphosphane?
acetic acid;cyclopentane;ruthenium(1+);triphenylphosphane has a molecular weight of 493.55 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cyclopentane;ruthenium(1+);triphenylphosphane is sourced from PubChem (CID 23229150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).