CID 154410767

C19H32O2S — CID 154410767

IUPAC—
SMILESCCCCCCC/C=C\CCSCC=C=CCCC(=O)OC
InChIInChI=1S/C19H32O2S/c1-3-4-5-6-7-8-9-11-14-17-22-18-15-12-10-13-16-19(20)21-2/h9-11,15H,3-8,13-14,16-18H2,1-2H3/b11-9-
InChIKeyOJWGMWVAFVGMME-LUAWRHEFSA-N
MW324.53 g/mol
LogP5.69
Rot. Bonds14

About CID 154410767

CID 154410767 (PubChem CID 154410767) has the molecular formula C19H32O2S and a molecular weight of 324.53 g/mol.

Molecular Properties

Compound NameCID 154410767
PubChem CID154410767
Molecular FormulaC19H32O2S
Molecular Weight324.53 g/mol
Exact Mass324.21
IUPAC Name—
SMILESCCCCCCC/C=C\CCSCC=C=CCCC(=O)OC
InChIInChI=1S/C19H32O2S/c1-3-4-5-6-7-8-9-11-14-17-22-18-15-12-10-13-16-19(20)21-2/h9-11,15H,3-8,13-14,16-18H2,1-2H3/b11-9-
InChIKeyOJWGMWVAFVGMME-LUAWRHEFSA-N
XLogP5.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.53
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 154410767?
The IUPAC name of CID 154410767 (CID 154410767) is not available.
What is the SMILES notation for CID 154410767?
The canonical SMILES for CID 154410767 is CCCCCCC/C=C\CCSCC=C=CCCC(=O)OC.
What is the InChIKey of CID 154410767?
The InChIKey is OJWGMWVAFVGMME-LUAWRHEFSA-N. The full InChI is InChI=1S/C19H32O2S/c1-3-4-5-6-7-8-9-11-14-17-22-18-15-12-10-13-16-19(20)21-2/h9-11,15H,3-8,13-14,16-18H2,1-2H3/b11-9-.
What are the key properties of CID 154410767?
CID 154410767 has a molecular weight of 324.53 g/mol, XLogP of 5.69, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154410767 is sourced from PubChem (CID 154410767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).