CID 101282633

C24H48O2Pb- — CID 101282633

IUPAC—
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)[O-].[CH2]C.[CH2]C.[CH2]C.[Pb]
InChIInChI=1S/C18H34O2.3C2H5.Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-2;/h9-10H,2-8,11-17H2,1H3,(H,19,20);3*1H2,2H3;/p-1/b10-9-;;;;
InChIKeyWESCUTBVFLZILC-HKIWRJGFSA-M
MW575.85 g/mol
LogP6.91
Rot. Bonds15

About CID 101282633

CID 101282633 (PubChem CID 101282633) has the molecular formula C24H48O2Pb- and a molecular weight of 575.85 g/mol.

Molecular Properties

Compound NameCID 101282633
PubChem CID101282633
Molecular FormulaC24H48O2Pb-
Molecular Weight575.85 g/mol
Exact Mass576.34
IUPAC Name—
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)[O-].[CH2]C.[CH2]C.[CH2]C.[Pb]
InChIInChI=1S/C18H34O2.3C2H5.Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-2;/h9-10H,2-8,11-17H2,1H3,(H,19,20);3*1H2,2H3;/p-1/b10-9-;;;;
InChIKeyWESCUTBVFLZILC-HKIWRJGFSA-M
XLogP6.91
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.85
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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iron(3+);(Z)-octadec-9-enoate
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tris((Z)-icos-9-enoate);scandium(3+)
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holmium(3+);tris((Z)-octadec-9-enoate)
CID 173065426
copper bis((Z)-octadec-11-enoate)
CID 175691872
copper bis((Z)-octadec-9-enoate)
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erbium(3+);tris((Z)-octadec-11-enoate)
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potassium (E)-(1,2,3,7,8-13C5)octadec-9-enoate
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Frequently Asked Questions

What is the IUPAC name of CID 101282633?
The IUPAC name of CID 101282633 (CID 101282633) is not available.
What is the SMILES notation for CID 101282633?
The canonical SMILES for CID 101282633 is CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[CH2]C.[CH2]C.[CH2]C.[Pb].
What is the InChIKey of CID 101282633?
The InChIKey is WESCUTBVFLZILC-HKIWRJGFSA-M. The full InChI is InChI=1S/C18H34O2.3C2H5.Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-2;/h9-10H,2-8,11-17H2,1H3,(H,19,20);3*1H2,2H3;/p-1/b10-9-;;;;.
What are the key properties of CID 101282633?
CID 101282633 has a molecular weight of 575.85 g/mol, XLogP of 6.91, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101282633 is sourced from PubChem (CID 101282633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).