CID 11724586

C20H32O4 — CID 11724586

IUPAC—
SMILESCC(C)(O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H32O4/c1-18(2,21)12-13-3-5-19(6-4-13)22-20(24-23-19)16-8-14-7-15(10-16)11-17(20)9-14/h13-17,21H,3-12H2,1-2H3
InChIKeyDXOPFGBYBMQDNS-UHFFFAOYSA-N
MW336.47 g/mol
LogP4.16
Rot. Bonds2

About CID 11724586

CID 11724586 (PubChem CID 11724586) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol.

Molecular Properties

Compound NameCID 11724586
PubChem CID11724586
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name—
SMILESCC(C)(O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H32O4/c1-18(2,21)12-13-3-5-19(6-4-13)22-20(24-23-19)16-8-14-7-15(10-16)11-17(20)9-14/h13-17,21H,3-12H2,1-2H3
InChIKeyDXOPFGBYBMQDNS-UHFFFAOYSA-N
XLogP4.16
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze CID 11724586 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 11724586?
The IUPAC name of CID 11724586 (CID 11724586) is not available.
What is the SMILES notation for CID 11724586?
The canonical SMILES for CID 11724586 is CC(C)(O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 11724586?
The InChIKey is DXOPFGBYBMQDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c1-18(2,21)12-13-3-5-19(6-4-13)22-20(24-23-19)16-8-14-7-15(10-16)11-17(20)9-14/h13-17,21H,3-12H2,1-2H3.
What are the key properties of CID 11724586?
CID 11724586 has a molecular weight of 336.47 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11724586 is sourced from PubChem (CID 11724586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).