CID 142695322

C24H46O4Sn2 — CID 142695322

IUPAC—
SMILESCCCCCCCCCCCC(=O)O[Sn].CCCCCCCCCCCC(=O)O[Sn]
InChIInChI=1S/2C12H24O2.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2*2-11H2,1H3,(H,13,14);;/q;;2*+1/p-2
InChIKeyNLTASWGNYIBSGK-UHFFFAOYSA-L
MW636.05 g/mol
LogP7.07
Rot. Bonds20

About CID 142695322

CID 142695322 (PubChem CID 142695322) has the molecular formula C24H46O4Sn2 and a molecular weight of 636.05 g/mol.

Molecular Properties

Compound NameCID 142695322
PubChem CID142695322
Molecular FormulaC24H46O4Sn2
Molecular Weight636.05 g/mol
Exact Mass638.14
IUPAC Name—
SMILESCCCCCCCCCCCC(=O)O[Sn].CCCCCCCCCCCC(=O)O[Sn]
InChIInChI=1S/2C12H24O2.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2*2-11H2,1H3,(H,13,14);;/q;;2*+1/p-2
InChIKeyNLTASWGNYIBSGK-UHFFFAOYSA-L
XLogP7.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.05
LogP ≤ 57.07
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

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heptanoyl octaneperoxoate
CID 142686679
hexatriacontanoyl heptatriacontanoate
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octadecanoyl octatriacontanoate
CID 141042185
octanoyl tridecaneperoxoate
CID 141014591
ethane;octadecanoyl octadecanoate
CID 174636018
methyl heptadecanoate
CID 15609
dodecanoyl dodecanoate;sulfane
CID 174888621
methyl heptanoate
CID 7826

Frequently Asked Questions

What is the IUPAC name of CID 142695322?
The IUPAC name of CID 142695322 (CID 142695322) is not available.
What is the SMILES notation for CID 142695322?
The canonical SMILES for CID 142695322 is CCCCCCCCCCCC(=O)O[Sn].CCCCCCCCCCCC(=O)O[Sn].
What is the InChIKey of CID 142695322?
The InChIKey is NLTASWGNYIBSGK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H24O2.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2*2-11H2,1H3,(H,13,14);;/q;;2*+1/p-2.
What are the key properties of CID 142695322?
CID 142695322 has a molecular weight of 636.05 g/mol, XLogP of 7.07, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142695322 is sourced from PubChem (CID 142695322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).