CID 24987386

C26H37NO5 — CID 24987386

IUPAC—
SMILESNCCOCCOc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C26H37NO5/c27-9-10-28-11-12-29-24-3-1-20(2-4-24)21-5-7-25(8-6-21)30-26(32-31-25)22-14-18-13-19(16-22)17-23(26)15-18/h1-4,18-19,21-23H,5-17,27H2
InChIKeyCMTZBJKRNWAXGG-UHFFFAOYSA-N
MW443.58 g/mol
LogP4.53
Rot. Bonds7

About CID 24987386

CID 24987386 (PubChem CID 24987386) has the molecular formula C26H37NO5 and a molecular weight of 443.58 g/mol.

Molecular Properties

Compound NameCID 24987386
PubChem CID24987386
Molecular FormulaC26H37NO5
Molecular Weight443.58 g/mol
Exact Mass443.27
IUPAC Name—
SMILESNCCOCCOc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C26H37NO5/c27-9-10-28-11-12-29-24-3-1-20(2-4-24)21-5-7-25(8-6-21)30-26(32-31-25)22-14-18-13-19(16-22)17-23(26)15-18/h1-4,18-19,21-23H,5-17,27H2
InChIKeyCMTZBJKRNWAXGG-UHFFFAOYSA-N
XLogP4.53
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.58
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 24987386?
The IUPAC name of CID 24987386 (CID 24987386) is not available.
What is the SMILES notation for CID 24987386?
The canonical SMILES for CID 24987386 is NCCOCCOc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of CID 24987386?
The InChIKey is CMTZBJKRNWAXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO5/c27-9-10-28-11-12-29-24-3-1-20(2-4-24)21-5-7-25(8-6-21)30-26(32-31-25)22-14-18-13-19(16-22)17-23(26)15-18/h1-4,18-19,21-23H,5-17,27H2.
What are the key properties of CID 24987386?
CID 24987386 has a molecular weight of 443.58 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24987386 is sourced from PubChem (CID 24987386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).