CID 20801772

C23H28O5 — CID 20801772

IUPAC—
SMILESO=C(O)c1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C23H28O5/c24-21(25)18-3-1-16(2-4-18)17-5-7-22(8-6-17)26-23(28-27-22)19-10-14-9-15(12-19)13-20(23)11-14/h1-4,14-15,17,19-20H,5-13H2,(H,24,25)
InChIKeyGOIAJBVFHMOJSY-UHFFFAOYSA-N
MW384.47 g/mol
LogP4.87
Rot. Bonds2

About CID 20801772

CID 20801772 (PubChem CID 20801772) has the molecular formula C23H28O5 and a molecular weight of 384.47 g/mol.

Molecular Properties

Compound NameCID 20801772
PubChem CID20801772
Molecular FormulaC23H28O5
Molecular Weight384.47 g/mol
Exact Mass384.19
IUPAC Name—
SMILESO=C(O)c1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C23H28O5/c24-21(25)18-3-1-16(2-4-18)17-5-7-22(8-6-17)26-23(28-27-22)19-10-14-9-15(12-19)13-20(23)11-14/h1-4,14-15,17,19-20H,5-13H2,(H,24,25)
InChIKeyGOIAJBVFHMOJSY-UHFFFAOYSA-N
XLogP4.87
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 20801772?
The IUPAC name of CID 20801772 (CID 20801772) is not available.
What is the SMILES notation for CID 20801772?
The canonical SMILES for CID 20801772 is O=C(O)c1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of CID 20801772?
The InChIKey is GOIAJBVFHMOJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O5/c24-21(25)18-3-1-16(2-4-18)17-5-7-22(8-6-17)26-23(28-27-22)19-10-14-9-15(12-19)13-20(23)11-14/h1-4,14-15,17,19-20H,5-13H2,(H,24,25).
What are the key properties of CID 20801772?
CID 20801772 has a molecular weight of 384.47 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20801772 is sourced from PubChem (CID 20801772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).