bis(7-methyloctanoyloxy)lead

C18H34O4Pb — CID 140563375

IUPACbis(7-methyloctanoyloxy)lead
SMILESCC(C)CCCCCC(=O)O[Pb]OC(=O)CCCCCC(C)C
InChIInChI=1S/2C9H18O2.Pb/c2*1-8(2)6-4-3-5-7-9(10)11;/h2*8H,3-7H2,1-2H3,(H,10,11);/q;;+2/p-2
InChIKeyACUMJPUCLKGCOC-UHFFFAOYSA-L
MW521.67 g/mol
LogP4.82
Rot. Bonds14

About bis(7-methyloctanoyloxy)lead

bis(7-methyloctanoyloxy)lead (PubChem CID 140563375) has the molecular formula C18H34O4Pb and a molecular weight of 521.67 g/mol. Its IUPAC name is bis(7-methyloctanoyloxy)lead.

Molecular Properties

Compound Namebis(7-methyloctanoyloxy)lead
PubChem CID140563375
Molecular FormulaC18H34O4Pb
Molecular Weight521.67 g/mol
Exact Mass522.22
IUPAC Namebis(7-methyloctanoyloxy)lead
SMILESCC(C)CCCCCC(=O)O[Pb]OC(=O)CCCCCC(C)C
InChIInChI=1S/2C9H18O2.Pb/c2*1-8(2)6-4-3-5-7-9(10)11;/h2*8H,3-7H2,1-2H3,(H,10,11);/q;;+2/p-2
InChIKeyACUMJPUCLKGCOC-UHFFFAOYSA-L
XLogP4.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.67
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methyloctanoyl 16-methylheptadecanoate
CID 140995309
methyl 21-methyldocosanoate
CID 14178788
propyl 10-methylundecanoate
CID 138489997
14-methylpentadecyl 13-methyltetradecanoate
CID 139914439
14-methylpentadecyl 9-methyldecanoate
CID 139914480
tris(7-methyloctanoyloxy)stannyl 7-methyloctanoate
CID 140560305
bis(6-methylheptyl) undecanedioate
CID 141305471
bis(13-methyltetradecyl) nonanedioate
CID 121387990
bis(14-methylpentadecyl) nonanedioate
CID 23368809
ethyl 17-methyloctadecanoate
CID 122524767
10-methylundecyl 9-methyldecanoate
CID 139914472
bis(10-methylundecyl) octanedioate
CID 121388088

Frequently Asked Questions

What is the IUPAC name of bis(7-methyloctanoyloxy)lead?
The IUPAC name of bis(7-methyloctanoyloxy)lead (CID 140563375) is bis(7-methyloctanoyloxy)lead.
What is the SMILES notation for bis(7-methyloctanoyloxy)lead?
The canonical SMILES for bis(7-methyloctanoyloxy)lead is CC(C)CCCCCC(=O)O[Pb]OC(=O)CCCCCC(C)C.
What is the InChIKey of bis(7-methyloctanoyloxy)lead?
The InChIKey is ACUMJPUCLKGCOC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H18O2.Pb/c2*1-8(2)6-4-3-5-7-9(10)11;/h2*8H,3-7H2,1-2H3,(H,10,11);/q;;+2/p-2.
What are the key properties of bis(7-methyloctanoyloxy)lead?
bis(7-methyloctanoyloxy)lead has a molecular weight of 521.67 g/mol, XLogP of 4.82, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-methyloctanoyloxy)lead is sourced from PubChem (CID 140563375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).