CID 131882435

C30H60O4Pb — CID 131882435

IUPAC—
SMILESCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCC(=O)O.[Pb]
InChIInChI=1S/2C15H30O2.Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2*2-14H2,1H3,(H,16,17);
InChIKeyZCXYPMHBYHCMIW-UHFFFAOYSA-N
MW692.01 g/mol
LogP9.94
Rot. Bonds26

About CID 131882435

CID 131882435 (PubChem CID 131882435) has the molecular formula C30H60O4Pb and a molecular weight of 692.01 g/mol.

Molecular Properties

Compound NameCID 131882435
PubChem CID131882435
Molecular FormulaC30H60O4Pb
Molecular Weight692.01 g/mol
Exact Mass692.43
IUPAC Name—
SMILESCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCC(=O)O.[Pb]
InChIInChI=1S/2C15H30O2.Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2*2-14H2,1H3,(H,16,17);
InChIKeyZCXYPMHBYHCMIW-UHFFFAOYSA-N
XLogP9.94
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.01
LogP ≤ 59.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of CID 131882435?
The IUPAC name of CID 131882435 (CID 131882435) is not available.
What is the SMILES notation for CID 131882435?
The canonical SMILES for CID 131882435 is CCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCC(=O)O.[Pb].
What is the InChIKey of CID 131882435?
The InChIKey is ZCXYPMHBYHCMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H30O2.Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2*2-14H2,1H3,(H,16,17);.
What are the key properties of CID 131882435?
CID 131882435 has a molecular weight of 692.01 g/mol, XLogP of 9.94, 26 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131882435 is sourced from PubChem (CID 131882435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).