CID 57084915

C27H37N3O4Si — CID 57084915

IUPAC—
SMILESCCCC(CC(=O)Oc1c(-n2nc3ccccc3n2)cccc1C(C)(C)C)[Si]C(OCC)OCC
InChIInChI=1S/C27H37N3O4Si/c1-7-13-19(35-26(32-8-2)33-9-3)18-24(31)34-25-20(27(4,5)6)14-12-17-23(25)30-28-21-15-10-11-16-22(21)29-30/h10-12,14-17,19,26H,7-9,13,18H2,1-6H3
InChIKeyBYUXBZLVURKVON-UHFFFAOYSA-N
MW495.70 g/mol
LogP5.66
Rot. Bonds12

About CID 57084915

CID 57084915 (PubChem CID 57084915) has the molecular formula C27H37N3O4Si and a molecular weight of 495.70 g/mol.

Molecular Properties

Compound NameCID 57084915
PubChem CID57084915
Molecular FormulaC27H37N3O4Si
Molecular Weight495.70 g/mol
Exact Mass495.26
IUPAC Name—
SMILESCCCC(CC(=O)Oc1c(-n2nc3ccccc3n2)cccc1C(C)(C)C)[Si]C(OCC)OCC
InChIInChI=1S/C27H37N3O4Si/c1-7-13-19(35-26(32-8-2)33-9-3)18-24(31)34-25-20(27(4,5)6)14-12-17-23(25)30-28-21-15-10-11-16-22(21)29-30/h10-12,14-17,19,26H,7-9,13,18H2,1-6H3
InChIKeyBYUXBZLVURKVON-UHFFFAOYSA-N
XLogP5.66
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.70
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-(benzotriazol-2-yl)-6-tert-butylphenyl] acetate
CID 57023113
[2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenyl] propanoate
CID 57155541
3-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]-3-tert-butylphenyl]propanoic acid
CID 175558904
[2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenyl] octanoate
CID 21290131
6-[2-(benzotriazol-2-yl)-4,6-ditert-butylphenoxy]-5-[2-(benzotriazol-2-yl)-4,6-ditert-butylphenyl]-6-oxohexanoic acid
CID 70419067
(2,6-ditert-butylphenyl) octadecanoate
CID 174610698
8-[2-[4-acetyloxy-3-(benzotriazol-2-yl)-5-tert-butylphenyl]propanoyloxy]octyl 2-[4-acetyloxy-3-(benzotriazol-2-yl)-5-tert-butylphenyl]propanoate
CID 139644424
2-[4-(benzotriazol-2-yl)-2-tert-butyl-5-hydroxyphenoxy]acetic acid
CID 139724860
octyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroperoxyphenyl]propanoate
CID 151706336
[2-(benzotriazol-2-yl)-6-butan-2-ylphenyl] hydrogen sulfite
CID 69468644
(2,6-ditert-butyl-4-methoxyphenyl) (3S)-3-phenylbutanoate
CID 102115782
2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158028605

Frequently Asked Questions

What is the IUPAC name of CID 57084915?
The IUPAC name of CID 57084915 (CID 57084915) is not available.
What is the SMILES notation for CID 57084915?
The canonical SMILES for CID 57084915 is CCCC(CC(=O)Oc1c(-n2nc3ccccc3n2)cccc1C(C)(C)C)[Si]C(OCC)OCC.
What is the InChIKey of CID 57084915?
The InChIKey is BYUXBZLVURKVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4Si/c1-7-13-19(35-26(32-8-2)33-9-3)18-24(31)34-25-20(27(4,5)6)14-12-17-23(25)30-28-21-15-10-11-16-22(21)29-30/h10-12,14-17,19,26H,7-9,13,18H2,1-6H3.
What are the key properties of CID 57084915?
CID 57084915 has a molecular weight of 495.70 g/mol, XLogP of 5.66, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57084915 is sourced from PubChem (CID 57084915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).