7,7-dimethyloctanoyloxy(2-ethylhexanoyloxy)lead

C18H34O4Pb — CID 71300519

IUPAC7,7-dimethyloctanoyloxy(2-ethylhexanoyloxy)lead
SMILESCCCCC(CC)C(=O)O[Pb]OC(=O)CCCCCC(C)(C)C
InChIInChI=1S/C10H20O2.C8H16O2.Pb/c1-10(2,3)8-6-4-5-7-9(11)12;1-3-5-6-7(4-2)8(9)10;/h4-8H2,1-3H3,(H,11,12);7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKeyOLQFFKPSKUTQIA-UHFFFAOYSA-L
MW521.67 g/mol
LogP4.82
Rot. Bonds12

About 7,7-dimethyloctanoyloxy(2-ethylhexanoyloxy)lead

7,7-dimethyloctanoyloxy(2-ethylhexanoyloxy)lead (PubChem CID 71300519) has the molecular formula C18H34O4Pb and a molecular weight of 521.67 g/mol. Its IUPAC name is 7,7-dimethyloctanoyloxy(2-ethylhexanoyloxy)lead.

Molecular Properties

Compound Name7,7-dimethyloctanoyloxy(2-ethylhexanoyloxy)lead
PubChem CID71300519
Molecular FormulaC18H34O4Pb
Molecular Weight521.67 g/mol
Exact Mass522.22
IUPAC Name7,7-dimethyloctanoyloxy(2-ethylhexanoyloxy)lead
SMILESCCCCC(CC)C(=O)O[Pb]OC(=O)CCCCCC(C)(C)C
InChIInChI=1S/C10H20O2.C8H16O2.Pb/c1-10(2,3)8-6-4-5-7-9(11)12;1-3-5-6-7(4-2)8(9)10;/h4-8H2,1-3H3,(H,11,12);7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKeyOLQFFKPSKUTQIA-UHFFFAOYSA-L
XLogP4.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
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

decyl 6,6-dimethylheptanoate
CID 141285002
bismuth;zinc;bis(7,7-dimethyloctanoate);tris(2-ethylhexanoate)
CID 173076420
dibutyl 2-ethylnonadecanedioate
CID 87116783
2,2-dimethylpropyl 2-ethylhexanoate
CID 22213615
hexan-3-yl 7,7-dimethyloctaneperoxoate
CID 150396608
amino 7,7-dimethyloctanoate
CID 156697995
dioctyl 2-ethylpentadecanedioate
CID 87116486
9,9-dimethyldecanoyl 9,9-dimethyldecanoate
CID 141055153
bis[(2-butyl-7,7-dimethyloctanoyl)oxy]tin
CID 141254644
CID 16684285
CID 16684285
bis(7-methyloctanoyloxy)lead
CID 140563375
2-methylpropyl 7,7-dimethyloctanoate
CID 118937193

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyloctanoyloxy(2-ethylhexanoyloxy)lead?
The IUPAC name of 7,7-dimethyloctanoyloxy(2-ethylhexanoyloxy)lead (CID 71300519) is 7,7-dimethyloctanoyloxy(2-ethylhexanoyloxy)lead.
What is the SMILES notation for 7,7-dimethyloctanoyloxy(2-ethylhexanoyloxy)lead?
The canonical SMILES for 7,7-dimethyloctanoyloxy(2-ethylhexanoyloxy)lead is CCCCC(CC)C(=O)O[Pb]OC(=O)CCCCCC(C)(C)C.
What is the InChIKey of 7,7-dimethyloctanoyloxy(2-ethylhexanoyloxy)lead?
The InChIKey is OLQFFKPSKUTQIA-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H20O2.C8H16O2.Pb/c1-10(2,3)8-6-4-5-7-9(11)12;1-3-5-6-7(4-2)8(9)10;/h4-8H2,1-3H3,(H,11,12);7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2.
What are the key properties of 7,7-dimethyloctanoyloxy(2-ethylhexanoyloxy)lead?
7,7-dimethyloctanoyloxy(2-ethylhexanoyloxy)lead has a molecular weight of 521.67 g/mol, XLogP of 4.82, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyloctanoyloxy(2-ethylhexanoyloxy)lead is sourced from PubChem (CID 71300519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).