bis(3-butylphthalate);cobalt

C24H24CoO8-4 — CID 158616915

IUPACbis(3-butylphthalate);cobalt
SMILESCCCCc1cccc(C(=O)[O-])c1C(=O)[O-].CCCCc1cccc(C(=O)[O-])c1C(=O)[O-].[Co]
InChIInChI=1S/2C12H14O4.Co/c2*1-2-3-5-8-6-4-7-9(11(13)14)10(8)12(15)16;/h2*4,6-7H,2-3,5H2,1H3,(H,13,14)(H,15,16);/p-4
InChIKeyYMKFWQPZNZZXOH-UHFFFAOYSA-J
MW499.38 g/mol
LogP-0.49
Rot. Bonds10

About bis(3-butylphthalate);cobalt

bis(3-butylphthalate);cobalt (PubChem CID 158616915) has the molecular formula C24H24CoO8-4 and a molecular weight of 499.38 g/mol. Its IUPAC name is bis(3-butylphthalate);cobalt.

Molecular Properties

Compound Namebis(3-butylphthalate);cobalt
PubChem CID158616915
Molecular FormulaC24H24CoO8-4
Molecular Weight499.38 g/mol
Exact Mass499.08
IUPAC Namebis(3-butylphthalate);cobalt
SMILESCCCCc1cccc(C(=O)[O-])c1C(=O)[O-].CCCCc1cccc(C(=O)[O-])c1C(=O)[O-].[Co]
InChIInChI=1S/2C12H14O4.Co/c2*1-2-3-5-8-6-4-7-9(11(13)14)10(8)12(15)16;/h2*4,6-7H,2-3,5H2,1H3,(H,13,14)(H,15,16);/p-4
InChIKeyYMKFWQPZNZZXOH-UHFFFAOYSA-J
XLogP-0.49
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.38
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-butylphthalate
CID 22401953
disodium;3-octylphthalate
CID 101286982
disodium;3-hexadecylphthalate
CID 70534514
bis(2-butylbenzoate);cadmium(2+)
CID 101299924
sodium 3-butyl-2-methylbenzoate
CID 67715535
3-(5-methylhexyl)phthalate
CID 57355873
copper 4-butyl-3-methylphthalate
CID 175089468
sodium 2-pentylbenzoate
CID 23698943
potassium 2-pentylbenzoate
CID 175429572
3-butylphthalic acid;hydrate
CID 174841186
3-butylbenzene-1,2-dicarbonyl chloride
CID 18925831
magnesium bis(2-hexylbenzoate)
CID 70520345

Frequently Asked Questions

What is the IUPAC name of bis(3-butylphthalate);cobalt?
The IUPAC name of bis(3-butylphthalate);cobalt (CID 158616915) is bis(3-butylphthalate);cobalt.
What is the SMILES notation for bis(3-butylphthalate);cobalt?
The canonical SMILES for bis(3-butylphthalate);cobalt is CCCCc1cccc(C(=O)[O-])c1C(=O)[O-].CCCCc1cccc(C(=O)[O-])c1C(=O)[O-].[Co].
What is the InChIKey of bis(3-butylphthalate);cobalt?
The InChIKey is YMKFWQPZNZZXOH-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H14O4.Co/c2*1-2-3-5-8-6-4-7-9(11(13)14)10(8)12(15)16;/h2*4,6-7H,2-3,5H2,1H3,(H,13,14)(H,15,16);/p-4.
What are the key properties of bis(3-butylphthalate);cobalt?
bis(3-butylphthalate);cobalt has a molecular weight of 499.38 g/mol, XLogP of -0.49, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-butylphthalate);cobalt is sourced from PubChem (CID 158616915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).