CID 24989606

C25H35NO4 — CID 24989606

IUPAC—
SMILESNCCCOc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C25H35NO4/c26-10-1-11-27-23-4-2-19(3-5-23)20-6-8-24(9-7-20)28-25(30-29-24)21-13-17-12-18(15-21)16-22(25)14-17/h2-5,17-18,20-22H,1,6-16,26H2
InChIKeyUHVSCUGYUCCEAA-UHFFFAOYSA-N
MW413.56 g/mol
LogP4.90
Rot. Bonds5

About CID 24989606

CID 24989606 (PubChem CID 24989606) has the molecular formula C25H35NO4 and a molecular weight of 413.56 g/mol.

Molecular Properties

Compound NameCID 24989606
PubChem CID24989606
Molecular FormulaC25H35NO4
Molecular Weight413.56 g/mol
Exact Mass413.26
IUPAC Name—
SMILESNCCCOc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C25H35NO4/c26-10-1-11-27-23-4-2-19(3-5-23)20-6-8-24(9-7-20)28-25(30-29-24)21-13-17-12-18(15-21)16-22(25)14-17/h2-5,17-18,20-22H,1,6-16,26H2
InChIKeyUHVSCUGYUCCEAA-UHFFFAOYSA-N
XLogP4.90
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 24989606?
The IUPAC name of CID 24989606 (CID 24989606) is not available.
What is the SMILES notation for CID 24989606?
The canonical SMILES for CID 24989606 is NCCCOc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of CID 24989606?
The InChIKey is UHVSCUGYUCCEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO4/c26-10-1-11-27-23-4-2-19(3-5-23)20-6-8-24(9-7-20)28-25(30-29-24)21-13-17-12-18(15-21)16-22(25)14-17/h2-5,17-18,20-22H,1,6-16,26H2.
What are the key properties of CID 24989606?
CID 24989606 has a molecular weight of 413.56 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24989606 is sourced from PubChem (CID 24989606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).