trimethoxy(pyren-2-yl)silane

C19H18O3Si — CID 23434774

IUPACtrimethoxy(pyren-2-yl)silane
SMILESCO[Si](OC)(OC)c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C19H18O3Si/c1-20-23(21-2,22-3)17-11-15-9-7-13-5-4-6-14-8-10-16(12-17)19(15)18(13)14/h4-12H,1-3H3
InChIKeyWEMXNPDQQQIUQI-UHFFFAOYSA-N
MW322.44 g/mol
LogP3.67
Rot. Bonds4

About trimethoxy(pyren-2-yl)silane

trimethoxy(pyren-2-yl)silane (PubChem CID 23434774) has the molecular formula C19H18O3Si and a molecular weight of 322.44 g/mol. Its IUPAC name is trimethoxy(pyren-2-yl)silane.

Molecular Properties

Compound Nametrimethoxy(pyren-2-yl)silane
PubChem CID23434774
Molecular FormulaC19H18O3Si
Molecular Weight322.44 g/mol
Exact Mass322.10
IUPAC Nametrimethoxy(pyren-2-yl)silane
SMILESCO[Si](OC)(OC)c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C19H18O3Si/c1-20-23(21-2,22-3)17-11-15-9-7-13-5-4-6-14-8-10-16(12-17)19(15)18(13)14/h4-12H,1-3H3
InChIKeyWEMXNPDQQQIUQI-UHFFFAOYSA-N
XLogP3.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethoxy(tetracen-2-yl)silane
CID 23434786
anthracen-2-yl(trimethoxy)silane
CID 87375870
triethyl(pyren-2-yl)silane
CID 134844118
hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene
CID 172997689
pyrene;zirconium
CID 175873743
pyrene;dihydrobromide
CID 172822251
trimethyl-(7-trimethylsilylpyren-2-yl)silane
CID 122203195
(6-tert-butylnaphthalen-2-yl)-trimethoxysilane
CID 157107144
trimethoxy-(9-methylanthracen-1-yl)silane
CID 87512165
2-(4-pyren-2-ylphenyl)pyrene
CID 140856020
trimethoxy(phenyl)silane;hydrochloride
CID 140901295
pyrene;1,3-xylene
CID 174892551

Frequently Asked Questions

What is the IUPAC name of trimethoxy(pyren-2-yl)silane?
The IUPAC name of trimethoxy(pyren-2-yl)silane (CID 23434774) is trimethoxy(pyren-2-yl)silane.
What is the SMILES notation for trimethoxy(pyren-2-yl)silane?
The canonical SMILES for trimethoxy(pyren-2-yl)silane is CO[Si](OC)(OC)c1cc2ccc3cccc4ccc(c1)c2c34.
What is the InChIKey of trimethoxy(pyren-2-yl)silane?
The InChIKey is WEMXNPDQQQIUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3Si/c1-20-23(21-2,22-3)17-11-15-9-7-13-5-4-6-14-8-10-16(12-17)19(15)18(13)14/h4-12H,1-3H3.
What are the key properties of trimethoxy(pyren-2-yl)silane?
trimethoxy(pyren-2-yl)silane has a molecular weight of 322.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(pyren-2-yl)silane is sourced from PubChem (CID 23434774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).