CID 153489772

C30H41NO6 — CID 153489772

IUPAC—
SMILESO=C(O)C1CCN(CCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1
InChIInChI=1S/C30H41NO6/c32-28(33)24-7-11-31(12-8-24)13-14-34-27-3-1-22(2-4-27)23-5-9-29(10-6-23)35-30(37-36-29)25-16-20-15-21(18-25)19-26(30)17-20/h1-4,20-21,23-26H,5-19H2,(H,32,33)
InChIKeyFUMXTNNVEPLJGF-UHFFFAOYSA-N
MW511.66 g/mol
LogP5.35
Rot. Bonds6

About CID 153489772

CID 153489772 (PubChem CID 153489772) has the molecular formula C30H41NO6 and a molecular weight of 511.66 g/mol.

Molecular Properties

Compound NameCID 153489772
PubChem CID153489772
Molecular FormulaC30H41NO6
Molecular Weight511.66 g/mol
Exact Mass511.29
IUPAC Name—
SMILESO=C(O)C1CCN(CCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1
InChIInChI=1S/C30H41NO6/c32-28(33)24-7-11-31(12-8-24)13-14-34-27-3-1-22(2-4-27)23-5-9-29(10-6-23)35-30(37-36-29)25-16-20-15-21(18-25)19-26(30)17-20/h1-4,20-21,23-26H,5-19H2,(H,32,33)
InChIKeyFUMXTNNVEPLJGF-UHFFFAOYSA-N
XLogP5.35
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.66
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 153489772?
The IUPAC name of CID 153489772 (CID 153489772) is not available.
What is the SMILES notation for CID 153489772?
The canonical SMILES for CID 153489772 is O=C(O)C1CCN(CCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1.
What is the InChIKey of CID 153489772?
The InChIKey is FUMXTNNVEPLJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41NO6/c32-28(33)24-7-11-31(12-8-24)13-14-34-27-3-1-22(2-4-27)23-5-9-29(10-6-23)35-30(37-36-29)25-16-20-15-21(18-25)19-26(30)17-20/h1-4,20-21,23-26H,5-19H2,(H,32,33).
What are the key properties of CID 153489772?
CID 153489772 has a molecular weight of 511.66 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153489772 is sourced from PubChem (CID 153489772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).