CID 11425994

C16H24O4 — CID 11425994

IUPAC—
SMILESOC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24O4/c17-14-1-3-15(4-2-14)18-16(20-19-15)12-6-10-5-11(8-12)9-13(16)7-10/h10-14,17H,1-9H2
InChIKeyRQQVZFNVBNKMKN-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.75
Rot. Bonds

About CID 11425994

CID 11425994 (PubChem CID 11425994) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol.

Molecular Properties

Compound NameCID 11425994
PubChem CID11425994
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name—
SMILESOC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24O4/c17-14-1-3-15(4-2-14)18-16(20-19-15)12-6-10-5-11(8-12)9-13(16)7-10/h10-14,17H,1-9H2
InChIKeyRQQVZFNVBNKMKN-UHFFFAOYSA-N
XLogP2.75
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.75
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 11425994?
The IUPAC name of CID 11425994 (CID 11425994) is not available.
What is the SMILES notation for CID 11425994?
The canonical SMILES for CID 11425994 is OC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 11425994?
The InChIKey is RQQVZFNVBNKMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c17-14-1-3-15(4-2-14)18-16(20-19-15)12-6-10-5-11(8-12)9-13(16)7-10/h10-14,17H,1-9H2.
What are the key properties of CID 11425994?
CID 11425994 has a molecular weight of 280.36 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11425994 is sourced from PubChem (CID 11425994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).