CID 23657283

C23H30O2 — CID 23657283

IUPAC—
SMILESc1ccc(C2CCC3(CC2)CC2(OO3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C23H30O2/c1-2-4-18(5-3-1)19-6-8-22(9-7-19)15-23(25-24-22)20-11-16-10-17(13-20)14-21(23)12-16/h1-5,16-17,19-21H,6-15H2
InChIKeyLQVXPAXQLCBNLN-UHFFFAOYSA-N
MW338.49 g/mol
LogP5.63
Rot. Bonds1

About CID 23657283

CID 23657283 (PubChem CID 23657283) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol.

Molecular Properties

Compound NameCID 23657283
PubChem CID23657283
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name—
SMILESc1ccc(C2CCC3(CC2)CC2(OO3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C23H30O2/c1-2-4-18(5-3-1)19-6-8-22(9-7-19)15-23(25-24-22)20-11-16-10-17(13-20)14-21(23)12-16/h1-5,16-17,19-21H,6-15H2
InChIKeyLQVXPAXQLCBNLN-UHFFFAOYSA-N
XLogP5.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 23657283?
The IUPAC name of CID 23657283 (CID 23657283) is not available.
What is the SMILES notation for CID 23657283?
The canonical SMILES for CID 23657283 is c1ccc(C2CCC3(CC2)CC2(OO3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of CID 23657283?
The InChIKey is LQVXPAXQLCBNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2/c1-2-4-18(5-3-1)19-6-8-22(9-7-19)15-23(25-24-22)20-11-16-10-17(13-20)14-21(23)12-16/h1-5,16-17,19-21H,6-15H2.
What are the key properties of CID 23657283?
CID 23657283 has a molecular weight of 338.49 g/mol, XLogP of 5.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23657283 is sourced from PubChem (CID 23657283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).