bis(2-ethylbenzoate);lead(2+)

C18H18O4Pb — CID 101297382

IUPACbis(2-ethylbenzoate);lead(2+)
SMILESCCc1ccccc1C(=O)[O-].CCc1ccccc1C(=O)[O-].[Pb+2]
InChIInChI=1S/2C9H10O2.Pb/c2*1-2-7-5-3-4-6-8(7)9(10)11;/h2*3-6H,2H2,1H3,(H,10,11);/q;;+2/p-2
InChIKeyXTWNDVATNHEVPK-UHFFFAOYSA-L
MW505.54 g/mol
LogP0.84
Rot. Bonds4

About bis(2-ethylbenzoate);lead(2+)

bis(2-ethylbenzoate);lead(2+) (PubChem CID 101297382) has the molecular formula C18H18O4Pb and a molecular weight of 505.54 g/mol. Its IUPAC name is bis(2-ethylbenzoate);lead(2+).

Molecular Properties

Compound Namebis(2-ethylbenzoate);lead(2+)
PubChem CID101297382
Molecular FormulaC18H18O4Pb
Molecular Weight505.54 g/mol
Exact Mass506.10
IUPAC Namebis(2-ethylbenzoate);lead(2+)
SMILESCCc1ccccc1C(=O)[O-].CCc1ccccc1C(=O)[O-].[Pb+2]
InChIInChI=1S/2C9H10O2.Pb/c2*1-2-7-5-3-4-6-8(7)9(10)11;/h2*3-6H,2H2,1H3,(H,10,11);/q;;+2/p-2
InChIKeyXTWNDVATNHEVPK-UHFFFAOYSA-L
XLogP0.84
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.54
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

barium(2+);bis(2-ethylbenzoate)
CID 101299927
barium(2+);bis(2-propylbenzoate)
CID 101299930
bis(2-butylbenzoate);cadmium(2+)
CID 101299924
2-ethylbenzoate;3-methoxy-3-methylpentanedioate
CID 54474002
lead(2+) dihydride;phthalate
CID 155293254
pentakis(lead(2+));phthalate
CID 173427098
sodium 2-pentylbenzoate
CID 23698943
potassium 2-pentylbenzoate
CID 175429572
2-[5-(2-carboxylatophenyl)pentyl]benzoate
CID 71439471
1-ethyl-2-[(2Z,4Z)-4-ethylhexa-2,4-dien-3-yl]benzene
CID 144535751
magnesium bis(2-hexylbenzoate)
CID 70520345
zinc bis(2-heptylbenzoate)
CID 101299904

Frequently Asked Questions

What is the IUPAC name of bis(2-ethylbenzoate);lead(2+)?
The IUPAC name of bis(2-ethylbenzoate);lead(2+) (CID 101297382) is bis(2-ethylbenzoate);lead(2+).
What is the SMILES notation for bis(2-ethylbenzoate);lead(2+)?
The canonical SMILES for bis(2-ethylbenzoate);lead(2+) is CCc1ccccc1C(=O)[O-].CCc1ccccc1C(=O)[O-].[Pb+2].
What is the InChIKey of bis(2-ethylbenzoate);lead(2+)?
The InChIKey is XTWNDVATNHEVPK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H10O2.Pb/c2*1-2-7-5-3-4-6-8(7)9(10)11;/h2*3-6H,2H2,1H3,(H,10,11);/q;;+2/p-2.
What are the key properties of bis(2-ethylbenzoate);lead(2+)?
bis(2-ethylbenzoate);lead(2+) has a molecular weight of 505.54 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylbenzoate);lead(2+) is sourced from PubChem (CID 101297382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).