CID 170842879

C24H48O4Sn — CID 170842879

IUPAC—
SMILESCCCCC(CC)C([O])=O.CCCCC(CC)C([O])=O.[CH2]CCC.[CH2]CCC.[Sn]
InChIInChI=1S/2C8H15O2.2C4H9.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-4-2;/h2*7H,3-6H2,1-2H3;2*1,3-4H2,2H3;
InChIKeyKALNHLVHUHAVOU-UHFFFAOYSA-N
MW519.36 g/mol
LogP7.18
Rot. Bonds12

About CID 170842879

CID 170842879 (PubChem CID 170842879) has the molecular formula C24H48O4Sn and a molecular weight of 519.36 g/mol.

Molecular Properties

Compound NameCID 170842879
PubChem CID170842879
Molecular FormulaC24H48O4Sn
Molecular Weight519.36 g/mol
Exact Mass520.26
IUPAC Name—
SMILESCCCCC(CC)C([O])=O.CCCCC(CC)C([O])=O.[CH2]CCC.[CH2]CCC.[Sn]
InChIInChI=1S/2C8H15O2.2C4H9.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-4-2;/h2*7H,3-6H2,1-2H3;2*1,3-4H2,2H3;
InChIKeyKALNHLVHUHAVOU-UHFFFAOYSA-N
XLogP7.18
TPSA73.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.36
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-diethylnonan-4-one
CID 115785527
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
2-ethylhexanoic acid;palladium(2+)
CID 18629949
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
copper 2-ethylhexanoic acid
CID 54604905
bis(2-ethylhexanoic acid);manganese
CID 173402583
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
carbonic acid;ethyl 2-ethylhexanoate
CID 175024500
trimethylplumbyl 2-ethylhexanoate
CID 16683317
5-ethylnona-1,2-dien-4-one
CID 174600956
CID 87702087
CID 87702087

Frequently Asked Questions

What is the IUPAC name of CID 170842879?
The IUPAC name of CID 170842879 (CID 170842879) is not available.
What is the SMILES notation for CID 170842879?
The canonical SMILES for CID 170842879 is CCCCC(CC)C([O])=O.CCCCC(CC)C([O])=O.[CH2]CCC.[CH2]CCC.[Sn].
What is the InChIKey of CID 170842879?
The InChIKey is KALNHLVHUHAVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15O2.2C4H9.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-4-2;/h2*7H,3-6H2,1-2H3;2*1,3-4H2,2H3;.
What are the key properties of CID 170842879?
CID 170842879 has a molecular weight of 519.36 g/mol, XLogP of 7.18, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170842879 is sourced from PubChem (CID 170842879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).