ruthenium;tris(2,2,3,3-tetramethylheptanedioic acid)

C33H60O12Ru — CID 173029770

IUPACruthenium;tris(2,2,3,3-tetramethylheptanedioic acid)
SMILESCC(C)(CCCC(=O)O)C(C)(C)C(=O)O.CC(C)(CCCC(=O)O)C(C)(C)C(=O)O.CC(C)(CCCC(=O)O)C(C)(C)C(=O)O.[Ru]
InChIInChI=1S/3C11H20O4.Ru/c3*1-10(2,7-5-6-8(12)13)11(3,4)9(14)15;/h3*5-7H2,1-4H3,(H,12,13)(H,14,15);
InChIKeyHNVTXVVHGGYULH-UHFFFAOYSA-N
MW749.90 g/mol
LogP7.13
Rot. Bonds18

About ruthenium;tris(2,2,3,3-tetramethylheptanedioic acid)

ruthenium;tris(2,2,3,3-tetramethylheptanedioic acid) (PubChem CID 173029770) has the molecular formula C33H60O12Ru and a molecular weight of 749.90 g/mol. Its IUPAC name is ruthenium;tris(2,2,3,3-tetramethylheptanedioic acid).

Molecular Properties

Compound Nameruthenium;tris(2,2,3,3-tetramethylheptanedioic acid)
PubChem CID173029770
Molecular FormulaC33H60O12Ru
Molecular Weight749.90 g/mol
Exact Mass750.31
IUPAC Nameruthenium;tris(2,2,3,3-tetramethylheptanedioic acid)
SMILESCC(C)(CCCC(=O)O)C(C)(C)C(=O)O.CC(C)(CCCC(=O)O)C(C)(C)C(=O)O.CC(C)(CCCC(=O)O)C(C)(C)C(=O)O.[Ru]
InChIInChI=1S/3C11H20O4.Ru/c3*1-10(2,7-5-6-8(12)13)11(3,4)9(14)15;/h3*5-7H2,1-4H3,(H,12,13)(H,14,15);
InChIKeyHNVTXVVHGGYULH-UHFFFAOYSA-N
XLogP7.13
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500749.90
LogP ≤ 57.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

CID 173033725
CID 173033725
2,2,3,3-tetramethylheptadecanoic acid
CID 54420506
2,2-dimethylicosanedioic acid
CID 87760954
2,2-dimethyloctanedioic acid
CID 21225473
bicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid
CID 66701484
5,5-difluorohexanoic acid
CID 53418167
(2S)-2-hydroxy-2-methylpentanedioic acid
CID 87384550
5-hydroxy-5,6,6-trimethylheptanoic acid
CID 139885308
5,5-diethoxyhexanoic acid
CID 174569404
chloromethane;pentanedioic acid
CID 159659659
9-methoxy-8,8-dimethyl-9-oxononanoic acid
CID 156679792
6-amino-5,5-dimethylhexanoic acid;hydrochloride
CID 175554592

Frequently Asked Questions

What is the IUPAC name of ruthenium;tris(2,2,3,3-tetramethylheptanedioic acid)?
The IUPAC name of ruthenium;tris(2,2,3,3-tetramethylheptanedioic acid) (CID 173029770) is ruthenium;tris(2,2,3,3-tetramethylheptanedioic acid).
What is the SMILES notation for ruthenium;tris(2,2,3,3-tetramethylheptanedioic acid)?
The canonical SMILES for ruthenium;tris(2,2,3,3-tetramethylheptanedioic acid) is CC(C)(CCCC(=O)O)C(C)(C)C(=O)O.CC(C)(CCCC(=O)O)C(C)(C)C(=O)O.CC(C)(CCCC(=O)O)C(C)(C)C(=O)O.[Ru].
What is the InChIKey of ruthenium;tris(2,2,3,3-tetramethylheptanedioic acid)?
The InChIKey is HNVTXVVHGGYULH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H20O4.Ru/c3*1-10(2,7-5-6-8(12)13)11(3,4)9(14)15;/h3*5-7H2,1-4H3,(H,12,13)(H,14,15);.
What are the key properties of ruthenium;tris(2,2,3,3-tetramethylheptanedioic acid)?
ruthenium;tris(2,2,3,3-tetramethylheptanedioic acid) has a molecular weight of 749.90 g/mol, XLogP of 7.13, 18 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ruthenium;tris(2,2,3,3-tetramethylheptanedioic acid) is sourced from PubChem (CID 173029770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).