CID 24989998

C29H41NO4 — CID 24989998

IUPAC—
SMILESc1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCCCC1
InChIInChI=1S/C29H41NO4/c1-2-12-30(13-3-1)14-15-31-27-6-4-23(5-7-27)24-8-10-28(11-9-24)32-29(34-33-28)25-17-21-16-22(19-25)20-26(29)18-21/h4-7,21-22,24-26H,1-3,8-20H2
InChIKeyVSEYTXZVBMLJQS-UHFFFAOYSA-N
MW467.65 g/mol
LogP6.04
Rot. Bonds5

About CID 24989998

CID 24989998 (PubChem CID 24989998) has the molecular formula C29H41NO4 and a molecular weight of 467.65 g/mol.

Molecular Properties

Compound NameCID 24989998
PubChem CID24989998
Molecular FormulaC29H41NO4
Molecular Weight467.65 g/mol
Exact Mass467.30
IUPAC Name—
SMILESc1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCCCC1
InChIInChI=1S/C29H41NO4/c1-2-12-30(13-3-1)14-15-31-27-6-4-23(5-7-27)24-8-10-28(11-9-24)32-29(34-33-28)25-17-21-16-22(19-25)20-26(29)18-21/h4-7,21-22,24-26H,1-3,8-20H2
InChIKeyVSEYTXZVBMLJQS-UHFFFAOYSA-N
XLogP6.04
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.65
LogP ≤ 56.04
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 24989998?
The IUPAC name of CID 24989998 (CID 24989998) is not available.
What is the SMILES notation for CID 24989998?
The canonical SMILES for CID 24989998 is c1cc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCCCC1.
What is the InChIKey of CID 24989998?
The InChIKey is VSEYTXZVBMLJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO4/c1-2-12-30(13-3-1)14-15-31-27-6-4-23(5-7-27)24-8-10-28(11-9-24)32-29(34-33-28)25-17-21-16-22(19-25)20-26(29)18-21/h4-7,21-22,24-26H,1-3,8-20H2.
What are the key properties of CID 24989998?
CID 24989998 has a molecular weight of 467.65 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24989998 is sourced from PubChem (CID 24989998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).