lead(2+);bis(undec-2-enoate)

C22H38O4Pb — CID 87254257

IUPAClead(2+);bis(undec-2-enoate)
SMILESCCCCCCCCC=CC(=O)[O-].CCCCCCCCC=CC(=O)[O-].[Pb+2]
InChIInChI=1S/2C11H20O2.Pb/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*9-10H,2-8H2,1H3,(H,12,13);/q;;+2/p-2
InChIKeyDKBXQKNRDKEODE-UHFFFAOYSA-L
MW573.74 g/mol
LogP3.71
Rot. Bonds16

About lead(2+);bis(undec-2-enoate)

lead(2+);bis(undec-2-enoate) (PubChem CID 87254257) has the molecular formula C22H38O4Pb and a molecular weight of 573.74 g/mol. Its IUPAC name is lead(2+);bis(undec-2-enoate).

Molecular Properties

Compound Namelead(2+);bis(undec-2-enoate)
PubChem CID87254257
Molecular FormulaC22H38O4Pb
Molecular Weight573.74 g/mol
Exact Mass574.25
IUPAC Namelead(2+);bis(undec-2-enoate)
SMILESCCCCCCCCC=CC(=O)[O-].CCCCCCCCC=CC(=O)[O-].[Pb+2]
InChIInChI=1S/2C11H20O2.Pb/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*9-10H,2-8H2,1H3,(H,12,13);/q;;+2/p-2
InChIKeyDKBXQKNRDKEODE-UHFFFAOYSA-L
XLogP3.71
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.74
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

lithium nonadec-2-enoate
CID 139791513
azanium dec-2-enoate
CID 162335967
manganese(2+);bis(undec-2-enoate)
CID 89315247
magnesium bis(dec-2-enoate)
CID 159853408
neodymium(3+);tris(oct-2-enoate)
CID 158634826
diazanium;ethanolate;undec-2-enoate
CID 141132722
calcium bis(hept-2-enoate)
CID 141143408
(2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate
CID 21145301
bismuth bis((2E,4E)-dodeca-2,4-dienoate)
CID 6433559
sodium icosa-2,4,6,8-tetraenoate
CID 165168536
sodium docosa-2,4,6,8,10,12-hexaenoate
CID 173150739
silver icosa-2,4,6,8,10-pentaenoate
CID 173148678

Frequently Asked Questions

What is the IUPAC name of lead(2+);bis(undec-2-enoate)?
The IUPAC name of lead(2+);bis(undec-2-enoate) (CID 87254257) is lead(2+);bis(undec-2-enoate).
What is the SMILES notation for lead(2+);bis(undec-2-enoate)?
The canonical SMILES for lead(2+);bis(undec-2-enoate) is CCCCCCCCC=CC(=O)[O-].CCCCCCCCC=CC(=O)[O-].[Pb+2].
What is the InChIKey of lead(2+);bis(undec-2-enoate)?
The InChIKey is DKBXQKNRDKEODE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H20O2.Pb/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*9-10H,2-8H2,1H3,(H,12,13);/q;;+2/p-2.
What are the key properties of lead(2+);bis(undec-2-enoate)?
lead(2+);bis(undec-2-enoate) has a molecular weight of 573.74 g/mol, XLogP of 3.71, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lead(2+);bis(undec-2-enoate) is sourced from PubChem (CID 87254257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).