bis(2,2-dimethyloctanoyloxy)lead

C20H38O4Pb — CID 90470718

IUPACbis(2,2-dimethyloctanoyloxy)lead
SMILESCCCCCCC(C)(C)C(=O)O[Pb]OC(=O)C(C)(C)CCCCCC
InChIInChI=1S/2C10H20O2.Pb/c2*1-4-5-6-7-8-10(2,3)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2
InChIKeyDTUXKJWAOZUQBZ-UHFFFAOYSA-L
MW549.72 g/mol
LogP5.60
Rot. Bonds14

About bis(2,2-dimethyloctanoyloxy)lead

bis(2,2-dimethyloctanoyloxy)lead (PubChem CID 90470718) has the molecular formula C20H38O4Pb and a molecular weight of 549.72 g/mol. Its IUPAC name is bis(2,2-dimethyloctanoyloxy)lead.

Molecular Properties

Compound Namebis(2,2-dimethyloctanoyloxy)lead
PubChem CID90470718
Molecular FormulaC20H38O4Pb
Molecular Weight549.72 g/mol
Exact Mass550.25
IUPAC Namebis(2,2-dimethyloctanoyloxy)lead
SMILESCCCCCCC(C)(C)C(=O)O[Pb]OC(=O)C(C)(C)CCCCCC
InChIInChI=1S/2C10H20O2.Pb/c2*1-4-5-6-7-8-10(2,3)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2
InChIKeyDTUXKJWAOZUQBZ-UHFFFAOYSA-L
XLogP5.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.72
LogP ≤ 55.60
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

propyl 2,2-dimethylhexadecanoate
CID 57107993
azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldocosanoic acid
CID 23471202
2,2-dimethyldecanamide
CID 22596903
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
2,2-dimethyldodecanoyl chloride
CID 15656432
2,2-dimethyloctanethioate
CID 18983936
phosphanyl 2,2-dimethyl-8-(pentylamino)octanoate
CID 126724265
didecyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate
CID 169321325
ethane;undecyl 6-bromo-2,2-dimethylhexanoate
CID 170975848
2-methylpropyl 2,2-dimethylheptanoate
CID 58096950

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethyloctanoyloxy)lead?
The IUPAC name of bis(2,2-dimethyloctanoyloxy)lead (CID 90470718) is bis(2,2-dimethyloctanoyloxy)lead.
What is the SMILES notation for bis(2,2-dimethyloctanoyloxy)lead?
The canonical SMILES for bis(2,2-dimethyloctanoyloxy)lead is CCCCCCC(C)(C)C(=O)O[Pb]OC(=O)C(C)(C)CCCCCC.
What is the InChIKey of bis(2,2-dimethyloctanoyloxy)lead?
The InChIKey is DTUXKJWAOZUQBZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H20O2.Pb/c2*1-4-5-6-7-8-10(2,3)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2.
What are the key properties of bis(2,2-dimethyloctanoyloxy)lead?
bis(2,2-dimethyloctanoyloxy)lead has a molecular weight of 549.72 g/mol, XLogP of 5.60, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethyloctanoyloxy)lead is sourced from PubChem (CID 90470718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).