dichloro-methyl-(6-pyren-1-ylhexoxy)silane

C23H24Cl2OSi — CID 90087843

IUPACdichloro-methyl-(6-pyren-1-ylhexoxy)silane
SMILESC[Si](Cl)(Cl)OCCCCCCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C23H24Cl2OSi/c1-27(24,25)26-16-5-3-2-4-7-17-10-11-20-13-12-18-8-6-9-19-14-15-21(17)23(20)22(18)19/h6,8-15H,2-5,7,16H2,1H3
InChIKeyOAAQXRPEFGQUKH-UHFFFAOYSA-N
MW415.44 g/mol
LogP7.75
Rot. Bonds8

About dichloro-methyl-(6-pyren-1-ylhexoxy)silane

dichloro-methyl-(6-pyren-1-ylhexoxy)silane (PubChem CID 90087843) has the molecular formula C23H24Cl2OSi and a molecular weight of 415.44 g/mol. Its IUPAC name is dichloro-methyl-(6-pyren-1-ylhexoxy)silane.

Molecular Properties

Compound Namedichloro-methyl-(6-pyren-1-ylhexoxy)silane
PubChem CID90087843
Molecular FormulaC23H24Cl2OSi
Molecular Weight415.44 g/mol
Exact Mass414.10
IUPAC Namedichloro-methyl-(6-pyren-1-ylhexoxy)silane
SMILESC[Si](Cl)(Cl)OCCCCCCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C23H24Cl2OSi/c1-27(24,25)26-16-5-3-2-4-7-17-10-11-20-13-12-18-8-6-9-19-14-15-21(17)23(20)22(18)19/h6,8-15H,2-5,7,16H2,1H3
InChIKeyOAAQXRPEFGQUKH-UHFFFAOYSA-N
XLogP7.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.44
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

1-(7-pyren-1-ylheptyl)pyrene
CID 71394703
1-(22-pyren-1-yldocosyl)pyrene
CID 71394694
1-[4-(4-pyren-1-ylbutoxy)butyl]pyrene
CID 123848132
1-hexadecylpyrene
CID 12966317
12-pyren-1-yldodecyl methanesulfonate
CID 54472253
trimethyl(5-pyren-1-ylpentyl)azanium
CID 139253214
dimethyl(4-pyren-1-ylbutyl)azanium
CID 169260446
sodium 6-pyren-1-ylhexyl sulfate
CID 102349931
1-[4-(1-bromodecoxy)butyl]pyrene
CID 59001881
(2S)-3-(9-pyren-1-ylnonoxy)propane-1,2-diol
CID 11531820
3-pyren-1-ylpropyl methanesulfonate
CID 11348336
1-[3-[fluoro(methyl)phosphoryl]oxypropyl]pyrene
CID 3082705

Frequently Asked Questions

What is the IUPAC name of dichloro-methyl-(6-pyren-1-ylhexoxy)silane?
The IUPAC name of dichloro-methyl-(6-pyren-1-ylhexoxy)silane (CID 90087843) is dichloro-methyl-(6-pyren-1-ylhexoxy)silane.
What is the SMILES notation for dichloro-methyl-(6-pyren-1-ylhexoxy)silane?
The canonical SMILES for dichloro-methyl-(6-pyren-1-ylhexoxy)silane is C[Si](Cl)(Cl)OCCCCCCc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of dichloro-methyl-(6-pyren-1-ylhexoxy)silane?
The InChIKey is OAAQXRPEFGQUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2OSi/c1-27(24,25)26-16-5-3-2-4-7-17-10-11-20-13-12-18-8-6-9-19-14-15-21(17)23(20)22(18)19/h6,8-15H,2-5,7,16H2,1H3.
What are the key properties of dichloro-methyl-(6-pyren-1-ylhexoxy)silane?
dichloro-methyl-(6-pyren-1-ylhexoxy)silane has a molecular weight of 415.44 g/mol, XLogP of 7.75, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-methyl-(6-pyren-1-ylhexoxy)silane is sourced from PubChem (CID 90087843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).