CID 11328195

C26H34O6 — CID 11328195

IUPAC—
SMILESCCOC(=O)c1ccc(OCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C26H34O6/c1-2-28-24(27)20-3-5-23(6-4-20)29-16-17-7-9-25(10-8-17)30-26(32-31-25)21-12-18-11-19(14-21)15-22(26)13-18/h3-6,17-19,21-22H,2,7-16H2,1H3
InChIKeyBNWLKTPHFMLDMQ-UHFFFAOYSA-N
MW442.55 g/mol
LogP5.26
Rot. Bonds5

About CID 11328195

CID 11328195 (PubChem CID 11328195) has the molecular formula C26H34O6 and a molecular weight of 442.55 g/mol.

Molecular Properties

Compound NameCID 11328195
PubChem CID11328195
Molecular FormulaC26H34O6
Molecular Weight442.55 g/mol
Exact Mass442.24
IUPAC Name—
SMILESCCOC(=O)c1ccc(OCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C26H34O6/c1-2-28-24(27)20-3-5-23(6-4-20)29-16-17-7-9-25(10-8-17)30-26(32-31-25)21-12-18-11-19(14-21)15-22(26)13-18/h3-6,17-19,21-22H,2,7-16H2,1H3
InChIKeyBNWLKTPHFMLDMQ-UHFFFAOYSA-N
XLogP5.26
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 ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 11328195?
The IUPAC name of CID 11328195 (CID 11328195) is not available.
What is the SMILES notation for CID 11328195?
The canonical SMILES for CID 11328195 is CCOC(=O)c1ccc(OCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of CID 11328195?
The InChIKey is BNWLKTPHFMLDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O6/c1-2-28-24(27)20-3-5-23(6-4-20)29-16-17-7-9-25(10-8-17)30-26(32-31-25)21-12-18-11-19(14-21)15-22(26)13-18/h3-6,17-19,21-22H,2,7-16H2,1H3.
What are the key properties of CID 11328195?
CID 11328195 has a molecular weight of 442.55 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11328195 is sourced from PubChem (CID 11328195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).