CID 13457075

C18H28O6 — CID 13457075

IUPAC—
SMILESO[C@@H]1[C@@H](O)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12
InChIInChI=1S/C18H28O6/c19-11-12(20)14-16(24-18(22-14)9-5-2-6-10-18)15-13(11)21-17(23-15)7-3-1-4-8-17/h11-16,19-20H,1-10H2/t11-,12-,13-,14+,15-,16+/m1/s1
InChIKeyPHAPESVEHHOBEI-FWXGHANASA-N
MW340.42 g/mol
LogP1.61
Rot. Bonds

About CID 13457075

CID 13457075 (PubChem CID 13457075) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol.

Molecular Properties

Compound NameCID 13457075
PubChem CID13457075
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name—
SMILESO[C@@H]1[C@@H](O)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12
InChIInChI=1S/C18H28O6/c19-11-12(20)14-16(24-18(22-14)9-5-2-6-10-18)15-13(11)21-17(23-15)7-3-1-4-8-17/h11-16,19-20H,1-10H2/t11-,12-,13-,14+,15-,16+/m1/s1
InChIKeyPHAPESVEHHOBEI-FWXGHANASA-N
XLogP1.61
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze CID 13457075 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 13457075?
The IUPAC name of CID 13457075 (CID 13457075) is not available.
What is the SMILES notation for CID 13457075?
The canonical SMILES for CID 13457075 is O[C@@H]1[C@@H](O)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12.
What is the InChIKey of CID 13457075?
The InChIKey is PHAPESVEHHOBEI-FWXGHANASA-N. The full InChI is InChI=1S/C18H28O6/c19-11-12(20)14-16(24-18(22-14)9-5-2-6-10-18)15-13(11)21-17(23-15)7-3-1-4-8-17/h11-16,19-20H,1-10H2/t11-,12-,13-,14+,15-,16+/m1/s1.
What are the key properties of CID 13457075?
CID 13457075 has a molecular weight of 340.42 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13457075 is sourced from PubChem (CID 13457075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).