CID 87292126

C19H28O5 — CID 87292126

IUPAC—
SMILESCC(C(=O)O)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H28O5/c1-11(17(20)21)14-2-4-18(5-3-14)22-19(24-23-18)15-7-12-6-13(9-15)10-16(19)8-12/h11-16H,2-10H2,1H3,(H,20,21)
InChIKeyPNJKNAVVJFBKSM-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.72
Rot. Bonds2

About CID 87292126

CID 87292126 (PubChem CID 87292126) has the molecular formula C19H28O5 and a molecular weight of 336.43 g/mol.

Molecular Properties

Compound NameCID 87292126
PubChem CID87292126
Molecular FormulaC19H28O5
Molecular Weight336.43 g/mol
Exact Mass336.19
IUPAC Name—
SMILESCC(C(=O)O)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H28O5/c1-11(17(20)21)14-2-4-18(5-3-14)22-19(24-23-18)15-7-12-6-13(9-15)10-16(19)8-12/h11-16H,2-10H2,1H3,(H,20,21)
InChIKeyPNJKNAVVJFBKSM-UHFFFAOYSA-N
XLogP3.72
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 87292126 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 87292126?
The IUPAC name of CID 87292126 (CID 87292126) is not available.
What is the SMILES notation for CID 87292126?
The canonical SMILES for CID 87292126 is CC(C(=O)O)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 87292126?
The InChIKey is PNJKNAVVJFBKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O5/c1-11(17(20)21)14-2-4-18(5-3-14)22-19(24-23-18)15-7-12-6-13(9-15)10-16(19)8-12/h11-16H,2-10H2,1H3,(H,20,21).
What are the key properties of CID 87292126?
CID 87292126 has a molecular weight of 336.43 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87292126 is sourced from PubChem (CID 87292126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).