CID 24987032

C28H39NO5 — CID 24987032

IUPAC—
SMILESc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)c(OCCN2CCOCC2)c1
InChIInChI=1S/C28H39NO5/c1-2-4-26(31-14-11-29-9-12-30-13-10-29)25(3-1)22-5-7-27(8-6-22)32-28(34-33-27)23-16-20-15-21(18-23)19-24(28)17-20/h1-4,20-24H,5-19H2
InChIKeyYSADXOSJDXMGNU-UHFFFAOYSA-N
MW469.62 g/mol
LogP4.88
Rot. Bonds5

About CID 24987032

CID 24987032 (PubChem CID 24987032) has the molecular formula C28H39NO5 and a molecular weight of 469.62 g/mol.

Molecular Properties

Compound NameCID 24987032
PubChem CID24987032
Molecular FormulaC28H39NO5
Molecular Weight469.62 g/mol
Exact Mass469.28
IUPAC Name—
SMILESc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)c(OCCN2CCOCC2)c1
InChIInChI=1S/C28H39NO5/c1-2-4-26(31-14-11-29-9-12-30-13-10-29)25(3-1)22-5-7-27(8-6-22)32-28(34-33-27)23-16-20-15-21(18-23)19-24(28)17-20/h1-4,20-24H,5-19H2
InChIKeyYSADXOSJDXMGNU-UHFFFAOYSA-N
XLogP4.88
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.62
LogP ≤ 54.88
H-Bond Donors ≤ 50
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 24987032?
The IUPAC name of CID 24987032 (CID 24987032) is not available.
What is the SMILES notation for CID 24987032?
The canonical SMILES for CID 24987032 is c1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)c(OCCN2CCOCC2)c1.
What is the InChIKey of CID 24987032?
The InChIKey is YSADXOSJDXMGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39NO5/c1-2-4-26(31-14-11-29-9-12-30-13-10-29)25(3-1)22-5-7-27(8-6-22)32-28(34-33-27)23-16-20-15-21(18-23)19-24(28)17-20/h1-4,20-24H,5-19H2.
What are the key properties of CID 24987032?
CID 24987032 has a molecular weight of 469.62 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24987032 is sourced from PubChem (CID 24987032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).