CID 24988486

C26H34O6 — CID 24988486

IUPAC—
SMILESCCOC(=O)COc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C26H34O6/c1-2-28-24(27)16-29-23-5-3-19(4-6-23)20-7-9-25(10-8-20)30-26(32-31-25)21-12-17-11-18(14-21)15-22(26)13-17/h3-6,17-18,20-22H,2,7-16H2,1H3
InChIKeyKUIQOEUEOHBXBV-UHFFFAOYSA-N
MW442.55 g/mol
LogP5.11
Rot. Bonds5

About CID 24988486

CID 24988486 (PubChem CID 24988486) has the molecular formula C26H34O6 and a molecular weight of 442.55 g/mol.

Molecular Properties

Compound NameCID 24988486
PubChem CID24988486
Molecular FormulaC26H34O6
Molecular Weight442.55 g/mol
Exact Mass442.24
IUPAC Name—
SMILESCCOC(=O)COc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C26H34O6/c1-2-28-24(27)16-29-23-5-3-19(4-6-23)20-7-9-25(10-8-20)30-26(32-31-25)21-12-17-11-18(14-21)15-22(26)13-17/h3-6,17-18,20-22H,2,7-16H2,1H3
InChIKeyKUIQOEUEOHBXBV-UHFFFAOYSA-N
XLogP5.11
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.55
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 24988486?
The IUPAC name of CID 24988486 (CID 24988486) is not available.
What is the SMILES notation for CID 24988486?
The canonical SMILES for CID 24988486 is CCOC(=O)COc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of CID 24988486?
The InChIKey is KUIQOEUEOHBXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O6/c1-2-28-24(27)16-29-23-5-3-19(4-6-23)20-7-9-25(10-8-20)30-26(32-31-25)21-12-17-11-18(14-21)15-22(26)13-17/h3-6,17-18,20-22H,2,7-16H2,1H3.
What are the key properties of CID 24988486?
CID 24988486 has a molecular weight of 442.55 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24988486 is sourced from PubChem (CID 24988486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).