CID 88795565

C8H19O2SSn — CID 88795565

IUPAC—
SMILESCOC(=O)CCCS.C[Sn](C)C
InChIInChI=1S/C5H10O2S.3CH3.Sn/c1-7-5(6)3-2-4-8;;;;/h8H,2-4H2,1H3;3*1H3;
InChIKeyFGOVYRAGEOPPBJ-UHFFFAOYSA-N
MW298.02 g/mol
LogP2.24
Rot. Bonds3

About CID 88795565

CID 88795565 (PubChem CID 88795565) has the molecular formula C8H19O2SSn and a molecular weight of 298.02 g/mol.

Molecular Properties

Compound NameCID 88795565
PubChem CID88795565
Molecular FormulaC8H19O2SSn
Molecular Weight298.02 g/mol
Exact Mass299.01
IUPAC Name—
SMILESCOC(=O)CCCS.C[Sn](C)C
InChIInChI=1S/C5H10O2S.3CH3.Sn/c1-7-5(6)3-2-4-8;;;;/h8H,2-4H2,1H3;3*1H3;
InChIKeyFGOVYRAGEOPPBJ-UHFFFAOYSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.02
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 88795318
CID 88795318
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
dimethyl 9-oxooctadecanedioate
CID 544455
dimethyl hexanedioate;molecular hydrogen
CID 173272620
dimethyl 6,7-dioxododecanedioate
CID 71343651
methyl 5-methoxy-5-sulfanylidenepentanoate
CID 54249997
methyl 3-bromopropanoate;methyl 4-tritiosulfanylbutanoate
CID 158012883

Frequently Asked Questions

What is the IUPAC name of CID 88795565?
The IUPAC name of CID 88795565 (CID 88795565) is not available.
What is the SMILES notation for CID 88795565?
The canonical SMILES for CID 88795565 is COC(=O)CCCS.C[Sn](C)C.
What is the InChIKey of CID 88795565?
The InChIKey is FGOVYRAGEOPPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S.3CH3.Sn/c1-7-5(6)3-2-4-8;;;;/h8H,2-4H2,1H3;3*1H3;.
What are the key properties of CID 88795565?
CID 88795565 has a molecular weight of 298.02 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88795565 is sourced from PubChem (CID 88795565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).