CID 176589492

C15H24O4 — CID 176589492

IUPAC—
SMILESO[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CCCC1CCC2
InChIInChI=1S/C15H24O4/c16-13-8-3-9-14(10-13)17-15(19-18-14)11-4-1-5-12(15)7-2-6-11/h11-13,16H,1-10H2/t11?,12?,13-,14-,15?/m1/s1
InChIKeySZPPLONSJKTFNF-GUAPWVEUSA-N
MW268.35 g/mol
LogP2.89
Rot. Bonds

About CID 176589492

CID 176589492 (PubChem CID 176589492) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol.

Molecular Properties

Compound NameCID 176589492
PubChem CID176589492
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name—
SMILESO[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CCCC1CCC2
InChIInChI=1S/C15H24O4/c16-13-8-3-9-14(10-13)17-15(19-18-14)11-4-1-5-12(15)7-2-6-11/h11-13,16H,1-10H2/t11?,12?,13-,14-,15?/m1/s1
InChIKeySZPPLONSJKTFNF-GUAPWVEUSA-N
XLogP2.89
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.89
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 176589492?
The IUPAC name of CID 176589492 (CID 176589492) is not available.
What is the SMILES notation for CID 176589492?
The canonical SMILES for CID 176589492 is O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CCCC1CCC2.
What is the InChIKey of CID 176589492?
The InChIKey is SZPPLONSJKTFNF-GUAPWVEUSA-N. The full InChI is InChI=1S/C15H24O4/c16-13-8-3-9-14(10-13)17-15(19-18-14)11-4-1-5-12(15)7-2-6-11/h11-13,16H,1-10H2/t11?,12?,13-,14-,15?/m1/s1.
What are the key properties of CID 176589492?
CID 176589492 has a molecular weight of 268.35 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176589492 is sourced from PubChem (CID 176589492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).