CID 154410782

C17H28O2S — CID 154410782

IUPAC—
SMILESCCCCC/C=C\CSCC=C=CCCCC(=O)OC
InChIInChI=1S/C17H28O2S/c1-3-4-5-6-9-12-15-20-16-13-10-7-8-11-14-17(18)19-2/h7,9,12-13H,3-6,8,11,14-16H2,1-2H3/b12-9-
InChIKeyCBNBWPFUTBRMMC-XFXZXTDPSA-N
MW296.48 g/mol
LogP4.91
Rot. Bonds12

About CID 154410782

CID 154410782 (PubChem CID 154410782) has the molecular formula C17H28O2S and a molecular weight of 296.48 g/mol.

Molecular Properties

Compound NameCID 154410782
PubChem CID154410782
Molecular FormulaC17H28O2S
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name—
SMILESCCCCC/C=C\CSCC=C=CCCCC(=O)OC
InChIInChI=1S/C17H28O2S/c1-3-4-5-6-9-12-15-20-16-13-10-7-8-11-14-17(18)19-2/h7,9,12-13H,3-6,8,11,14-16H2,1-2H3/b12-9-
InChIKeyCBNBWPFUTBRMMC-XFXZXTDPSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.91
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 154410782?
The IUPAC name of CID 154410782 (CID 154410782) is not available.
What is the SMILES notation for CID 154410782?
The canonical SMILES for CID 154410782 is CCCCC/C=C\CSCC=C=CCCCC(=O)OC.
What is the InChIKey of CID 154410782?
The InChIKey is CBNBWPFUTBRMMC-XFXZXTDPSA-N. The full InChI is InChI=1S/C17H28O2S/c1-3-4-5-6-9-12-15-20-16-13-10-7-8-11-14-17(18)19-2/h7,9,12-13H,3-6,8,11,14-16H2,1-2H3/b12-9-.
What are the key properties of CID 154410782?
CID 154410782 has a molecular weight of 296.48 g/mol, XLogP of 4.91, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154410782 is sourced from PubChem (CID 154410782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).