CID 160996174

C22H42O4S2Sb-2 — CID 160996174

IUPAC—
SMILESCC(C)CCCCCCC(S)C(=O)[O-].CC(C)CCCCCCC(S)C(=O)[O-].[Sb]
InChIInChI=1S/2C11H22O2S.Sb/c2*1-9(2)7-5-3-4-6-8-10(14)11(12)13;/h2*9-10,14H,3-8H2,1-2H3,(H,12,13);/p-2
InChIKeyWGHLSKSWOAARRU-UHFFFAOYSA-L
MW556.47 g/mol
LogP3.68
Rot. Bonds16

About CID 160996174

CID 160996174 (PubChem CID 160996174) has the molecular formula C22H42O4S2Sb-2 and a molecular weight of 556.47 g/mol.

Molecular Properties

Compound NameCID 160996174
PubChem CID160996174
Molecular FormulaC22H42O4S2Sb-2
Molecular Weight556.47 g/mol
Exact Mass555.16
IUPAC Name—
SMILESCC(C)CCCCCCC(S)C(=O)[O-].CC(C)CCCCCCC(S)C(=O)[O-].[Sb]
InChIInChI=1S/2C11H22O2S.Sb/c2*1-9(2)7-5-3-4-6-8-10(14)11(12)13;/h2*9-10,14H,3-8H2,1-2H3,(H,12,13);/p-2
InChIKeyWGHLSKSWOAARRU-UHFFFAOYSA-L
XLogP3.68
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

dimethyltin(2+);bis(8-methyl-2-sulfanylnonanoate)
CID 22483602
bis(butyltin(3+));tetrakis(8-methyl-2-sulfanylnonanoate);sulfide
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2,8-bis(sulfanyl)octanoate
CID 23298468
2-sulfanylheptanoate
CID 22594709
antimony(5+);pentakis(2-sulfanylhexanoate)
CID 173438016
tris(2-hydroxy-8-methylnonanoate);methyltin(3+)
CID 161250669
sodium 13-methyltetradecanoate
CID 44515571
tetrakis(7-methyloctanoate);zirconium(4+)
CID 57346765
calcium bis(16-methylheptadecanoate)
CID 6453880
2,16-dimethylheptadecan-6-one
CID 158111781
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647

Frequently Asked Questions

What is the IUPAC name of CID 160996174?
The IUPAC name of CID 160996174 (CID 160996174) is not available.
What is the SMILES notation for CID 160996174?
The canonical SMILES for CID 160996174 is CC(C)CCCCCCC(S)C(=O)[O-].CC(C)CCCCCCC(S)C(=O)[O-].[Sb].
What is the InChIKey of CID 160996174?
The InChIKey is WGHLSKSWOAARRU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H22O2S.Sb/c2*1-9(2)7-5-3-4-6-8-10(14)11(12)13;/h2*9-10,14H,3-8H2,1-2H3,(H,12,13);/p-2.
What are the key properties of CID 160996174?
CID 160996174 has a molecular weight of 556.47 g/mol, XLogP of 3.68, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160996174 is sourced from PubChem (CID 160996174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).