12,12-bis(4,5-dihydro-1,3-oxazol-2-yl)tridecyl-trimethylsilane

C22H42N2O2Si — CID 134940598

IUPAC12,12-bis(4,5-dihydro-1,3-oxazol-2-yl)tridecyl-trimethylsilane
SMILESCC(CCCCCCCCCCC[Si](C)(C)C)(C1=NCCO1)C1=NCCO1
InChIInChI=1S/C22H42N2O2Si/c1-22(20-23-15-17-25-20,21-24-16-18-26-21)14-12-10-8-6-5-7-9-11-13-19-27(2,3)4/h5-19H2,1-4H3
InChIKeyZMHILTSWWHPTAO-UHFFFAOYSA-N
MW394.68 g/mol
LogP6.09
Rot. Bonds14

About 12,12-bis(4,5-dihydro-1,3-oxazol-2-yl)tridecyl-trimethylsilane

12,12-bis(4,5-dihydro-1,3-oxazol-2-yl)tridecyl-trimethylsilane (PubChem CID 134940598) has the molecular formula C22H42N2O2Si and a molecular weight of 394.68 g/mol. Its IUPAC name is 12,12-bis(4,5-dihydro-1,3-oxazol-2-yl)tridecyl-trimethylsilane.

Molecular Properties

Compound Name12,12-bis(4,5-dihydro-1,3-oxazol-2-yl)tridecyl-trimethylsilane
PubChem CID134940598
Molecular FormulaC22H42N2O2Si
Molecular Weight394.68 g/mol
Exact Mass394.30
IUPAC Name12,12-bis(4,5-dihydro-1,3-oxazol-2-yl)tridecyl-trimethylsilane
SMILESCC(CCCCCCCCCCC[Si](C)(C)C)(C1=NCCO1)C1=NCCO1
InChIInChI=1S/C22H42N2O2Si/c1-22(20-23-15-17-25-20,21-24-16-18-26-21)14-12-10-8-6-5-7-9-11-13-19-27(2,3)4/h5-19H2,1-4H3
InChIKeyZMHILTSWWHPTAO-UHFFFAOYSA-N
XLogP6.09
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.68
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]heptan-2-yl]-4,5-dihydro-1,3-oxazole
CID 134839865
2-[2-(4,5-Dihydro-1,3-oxazol-2-yl)heptan-2-yl]-4,5-dihydro-1,3-oxazole
CID 57033403
2-[2-(4,5-Dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole
CID 57091159
4-Methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)decan-2-yl]-4,5-dihydro-1,3-oxazole
CID 57125465
4-Methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole
CID 57203986
2-[2-(4,5-Dihydro-1,3-oxazol-2-yl)decan-2-yl]-4,5-dihydro-1,3-oxazole
CID 57228453

Frequently Asked Questions

What is the IUPAC name of 12,12-bis(4,5-dihydro-1,3-oxazol-2-yl)tridecyl-trimethylsilane?
The IUPAC name of 12,12-bis(4,5-dihydro-1,3-oxazol-2-yl)tridecyl-trimethylsilane (CID 134940598) is 12,12-bis(4,5-dihydro-1,3-oxazol-2-yl)tridecyl-trimethylsilane.
What is the SMILES notation for 12,12-bis(4,5-dihydro-1,3-oxazol-2-yl)tridecyl-trimethylsilane?
The canonical SMILES for 12,12-bis(4,5-dihydro-1,3-oxazol-2-yl)tridecyl-trimethylsilane is CC(CCCCCCCCCCC[Si](C)(C)C)(C1=NCCO1)C1=NCCO1.
What is the InChIKey of 12,12-bis(4,5-dihydro-1,3-oxazol-2-yl)tridecyl-trimethylsilane?
The InChIKey is ZMHILTSWWHPTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O2Si/c1-22(20-23-15-17-25-20,21-24-16-18-26-21)14-12-10-8-6-5-7-9-11-13-19-27(2,3)4/h5-19H2,1-4H3.
What are the key properties of 12,12-bis(4,5-dihydro-1,3-oxazol-2-yl)tridecyl-trimethylsilane?
12,12-bis(4,5-dihydro-1,3-oxazol-2-yl)tridecyl-trimethylsilane has a molecular weight of 394.68 g/mol, XLogP of 6.09, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-bis(4,5-dihydro-1,3-oxazol-2-yl)tridecyl-trimethylsilane is sourced from PubChem (CID 134940598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).