CID 24988129

C17H26O7S — CID 24988129

IUPAC—
SMILESO=S(=O)(O)OCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H26O7S/c18-25(19,20)21-10-11-1-3-16(4-2-11)22-17(24-23-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,1-10H2,(H,18,19,20)
InChIKeyUEIOAGILCFMQIE-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.82
Rot. Bonds3

About CID 24988129

CID 24988129 (PubChem CID 24988129) has the molecular formula C17H26O7S and a molecular weight of 374.46 g/mol.

Molecular Properties

Compound NameCID 24988129
PubChem CID24988129
Molecular FormulaC17H26O7S
Molecular Weight374.46 g/mol
Exact Mass374.14
IUPAC Name—
SMILESO=S(=O)(O)OCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H26O7S/c18-25(19,20)21-10-11-1-3-16(4-2-11)22-17(24-23-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,1-10H2,(H,18,19,20)
InChIKeyUEIOAGILCFMQIE-UHFFFAOYSA-N
XLogP2.82
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 24988129?
The IUPAC name of CID 24988129 (CID 24988129) is not available.
What is the SMILES notation for CID 24988129?
The canonical SMILES for CID 24988129 is O=S(=O)(O)OCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 24988129?
The InChIKey is UEIOAGILCFMQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O7S/c18-25(19,20)21-10-11-1-3-16(4-2-11)22-17(24-23-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,1-10H2,(H,18,19,20).
What are the key properties of CID 24988129?
CID 24988129 has a molecular weight of 374.46 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24988129 is sourced from PubChem (CID 24988129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).