CID 20801782

C24H30O6 — CID 20801782

IUPAC—
SMILESO=C(O)c1ccc(OCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C24H30O6/c25-22(26)18-1-3-21(4-2-18)27-14-15-5-7-23(8-6-15)28-24(30-29-23)19-10-16-9-17(12-19)13-20(24)11-16/h1-4,15-17,19-20H,5-14H2,(H,25,26)
InChIKeySYVIFONUXJCCOH-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.78
Rot. Bonds4

About CID 20801782

CID 20801782 (PubChem CID 20801782) has the molecular formula C24H30O6 and a molecular weight of 414.50 g/mol.

Molecular Properties

Compound NameCID 20801782
PubChem CID20801782
Molecular FormulaC24H30O6
Molecular Weight414.50 g/mol
Exact Mass414.20
IUPAC Name—
SMILESO=C(O)c1ccc(OCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C24H30O6/c25-22(26)18-1-3-21(4-2-18)27-14-15-5-7-23(8-6-15)28-24(30-29-23)19-10-16-9-17(12-19)13-20(24)11-16/h1-4,15-17,19-20H,5-14H2,(H,25,26)
InChIKeySYVIFONUXJCCOH-UHFFFAOYSA-N
XLogP4.78
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 20801782?
The IUPAC name of CID 20801782 (CID 20801782) is not available.
What is the SMILES notation for CID 20801782?
The canonical SMILES for CID 20801782 is O=C(O)c1ccc(OCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of CID 20801782?
The InChIKey is SYVIFONUXJCCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6/c25-22(26)18-1-3-21(4-2-18)27-14-15-5-7-23(8-6-15)28-24(30-29-23)19-10-16-9-17(12-19)13-20(24)11-16/h1-4,15-17,19-20H,5-14H2,(H,25,26).
What are the key properties of CID 20801782?
CID 20801782 has a molecular weight of 414.50 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20801782 is sourced from PubChem (CID 20801782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).