CID 57408736

C24H36O6 — CID 57408736

IUPAC—
SMILESC=CCO[C@@H]1[C@@H](OCC=C)[C@H]2OC3(CCCCC3)O[C@H]2[C@@H]2OC3(CCCCC3)O[C@H]12
InChIInChI=1S/C24H36O6/c1-3-15-25-17-18(26-16-4-2)20-22(30-24(28-20)13-9-6-10-14-24)21-19(17)27-23(29-21)11-7-5-8-12-23/h3-4,17-22H,1-2,5-16H2/t17-,18-,19-,20-,21-,22-/m1/s1
InChIKeyGZWJSRDMHAVOTL-CGXUPHRESA-N
MW420.55 g/mol
LogP4.03
Rot. Bonds6

About CID 57408736

CID 57408736 (PubChem CID 57408736) has the molecular formula C24H36O6 and a molecular weight of 420.55 g/mol.

Molecular Properties

Compound NameCID 57408736
PubChem CID57408736
Molecular FormulaC24H36O6
Molecular Weight420.55 g/mol
Exact Mass420.25
IUPAC Name—
SMILESC=CCO[C@@H]1[C@@H](OCC=C)[C@H]2OC3(CCCCC3)O[C@H]2[C@@H]2OC3(CCCCC3)O[C@H]12
InChIInChI=1S/C24H36O6/c1-3-15-25-17-18(26-16-4-2)20-22(30-24(28-20)13-9-6-10-14-24)21-19(17)27-23(29-21)11-7-5-8-12-23/h3-4,17-22H,1-2,5-16H2/t17-,18-,19-,20-,21-,22-/m1/s1
InChIKeyGZWJSRDMHAVOTL-CGXUPHRESA-N
XLogP4.03
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 57408736?
The IUPAC name of CID 57408736 (CID 57408736) is not available.
What is the SMILES notation for CID 57408736?
The canonical SMILES for CID 57408736 is C=CCO[C@@H]1[C@@H](OCC=C)[C@H]2OC3(CCCCC3)O[C@H]2[C@@H]2OC3(CCCCC3)O[C@H]12.
What is the InChIKey of CID 57408736?
The InChIKey is GZWJSRDMHAVOTL-CGXUPHRESA-N. The full InChI is InChI=1S/C24H36O6/c1-3-15-25-17-18(26-16-4-2)20-22(30-24(28-20)13-9-6-10-14-24)21-19(17)27-23(29-21)11-7-5-8-12-23/h3-4,17-22H,1-2,5-16H2/t17-,18-,19-,20-,21-,22-/m1/s1.
What are the key properties of CID 57408736?
CID 57408736 has a molecular weight of 420.55 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57408736 is sourced from PubChem (CID 57408736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).