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'}

Analyze CID 57408736 with MolForge

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

Launch Full Analysis

Related Compounds

CID 11406363
CID 11406363
(3aS,4R,5S,6S,7R,7aR)-4-phenylmethoxy-5,6,7-tris(prop-2-enoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]
CID 11070711
CID 3257099
CID 3257099
(3aS,4S,5R,6S,7S,7aR)-5-[(4-methoxyphenyl)methoxy]-4,6,7-tris(prop-2-enoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]
CID 10553454
(3aR,4S,5S,6R,7S,7aS)-6-phenylmethoxy-4,7-bis(prop-2-enoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5-ol
CID 14077537
(3aR,4S,5S,6S,7S,7aR)-4-[(4-methoxyphenyl)methoxy]-7-prop-2-enoxyspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5,6-diol
CID 11877256
(3aR,4S,5S,6R,7R,7aR)-4-[(4-methoxyphenyl)methoxy]-7-prop-2-enoxyspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5,6-diol
CID 124725161
6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)
CID 5051546
CID 131971311
CID 131971311
(3aS,4S,5S,6S,7S,7aR)-5,6-bis[(4-methoxyphenyl)methoxy]-2,2-dimethyl-4,7-bis(prop-2-enoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole
CID 10602538
(3aR,5R,6S)-4,7-dibutoxyspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-5,6-diol
CID 90243958
(3aR,4R,5S,6R,7S,7aS)-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
CID 125028313

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).