CID 71719257

C30H43NO4 — CID 71719257

IUPAC—
SMILESc1cc(C2CCC3(CC2)CCC2(OO3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1
InChIInChI=1S/C30H43NO4/c1-3-28(33-16-13-31-11-14-32-15-12-31)4-2-24(1)25-5-7-29(8-6-25)9-10-30(35-34-29)26-18-22-17-23(20-26)21-27(30)19-22/h1-4,22-23,25-27H,5-21H2
InChIKeyPZCHRBMHPIHHOB-UHFFFAOYSA-N
MW481.68 g/mol
LogP5.73
Rot. Bonds5

About CID 71719257

CID 71719257 (PubChem CID 71719257) has the molecular formula C30H43NO4 and a molecular weight of 481.68 g/mol.

Molecular Properties

Compound NameCID 71719257
PubChem CID71719257
Molecular FormulaC30H43NO4
Molecular Weight481.68 g/mol
Exact Mass481.32
IUPAC Name—
SMILESc1cc(C2CCC3(CC2)CCC2(OO3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1
InChIInChI=1S/C30H43NO4/c1-3-28(33-16-13-31-11-14-32-15-12-31)4-2-24(1)25-5-7-29(8-6-25)9-10-30(35-34-29)26-18-22-17-23(20-26)21-27(30)19-22/h1-4,22-23,25-27H,5-21H2
InChIKeyPZCHRBMHPIHHOB-UHFFFAOYSA-N
XLogP5.73
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 71719257?
The IUPAC name of CID 71719257 (CID 71719257) is not available.
What is the SMILES notation for CID 71719257?
The canonical SMILES for CID 71719257 is c1cc(C2CCC3(CC2)CCC2(OO3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1.
What is the InChIKey of CID 71719257?
The InChIKey is PZCHRBMHPIHHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43NO4/c1-3-28(33-16-13-31-11-14-32-15-12-31)4-2-24(1)25-5-7-29(8-6-25)9-10-30(35-34-29)26-18-22-17-23(20-26)21-27(30)19-22/h1-4,22-23,25-27H,5-21H2.
What are the key properties of CID 71719257?
CID 71719257 has a molecular weight of 481.68 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71719257 is sourced from PubChem (CID 71719257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).