[1-(chloromethyl)pyren-2-yl]-dimethylsilane

C19H17ClSi — CID 154394398

IUPAC[1-(chloromethyl)pyren-2-yl]-dimethylsilane
SMILESC[SiH](C)c1cc2ccc3cccc4ccc(c1CCl)c2c34
InChIInChI=1S/C19H17ClSi/c1-21(2)17-10-14-7-6-12-4-3-5-13-8-9-15(16(17)11-20)19(14)18(12)13/h3-10,21H,11H2,1-2H3
InChIKeyFURKDTZHSWIXKB-UHFFFAOYSA-N
MW308.88 g/mol
LogP5.02
Rot. Bonds2

About [1-(chloromethyl)pyren-2-yl]-dimethylsilane

[1-(chloromethyl)pyren-2-yl]-dimethylsilane (PubChem CID 154394398) has the molecular formula C19H17ClSi and a molecular weight of 308.88 g/mol. Its IUPAC name is [1-(chloromethyl)pyren-2-yl]-dimethylsilane.

Molecular Properties

Compound Name[1-(chloromethyl)pyren-2-yl]-dimethylsilane
PubChem CID154394398
Molecular FormulaC19H17ClSi
Molecular Weight308.88 g/mol
Exact Mass308.08
IUPAC Name[1-(chloromethyl)pyren-2-yl]-dimethylsilane
SMILESC[SiH](C)c1cc2ccc3cccc4ccc(c1CCl)c2c34
InChIInChI=1S/C19H17ClSi/c1-21(2)17-10-14-7-6-12-4-3-5-13-8-9-15(16(17)11-20)19(14)18(12)13/h3-10,21H,11H2,1-2H3
InChIKeyFURKDTZHSWIXKB-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.88
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[1-(hydroxymethyl)pyren-2-yl]methanol
CID 54570957
1-pyren-4-ylpyrene
CID 71343129
1,2-bis(chloromethyl)perylene
CID 154400811
pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene
CID 163289904
1,2,3,4-tetraethylpyrene
CID 123156770
1,2-dimethylpyrene;ethane
CID 143986089
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
1-chloro-2-fluoropyrene
CID 139789951
pyrene;1,3-xylene
CID 174892551
1,8-di(pyren-1-yl)pyrene
CID 58915622
1-ethylpyrene;methane
CID 142201759
heptacyclo[18.6.2.02,15.03,8.09,14.017,27.024,28]octacosa-1(27),2(15),3,5,7,9,11,13,16,18,20(28),21,23,25-tetradecaene
CID 15820916

Frequently Asked Questions

What is the IUPAC name of [1-(chloromethyl)pyren-2-yl]-dimethylsilane?
The IUPAC name of [1-(chloromethyl)pyren-2-yl]-dimethylsilane (CID 154394398) is [1-(chloromethyl)pyren-2-yl]-dimethylsilane.
What is the SMILES notation for [1-(chloromethyl)pyren-2-yl]-dimethylsilane?
The canonical SMILES for [1-(chloromethyl)pyren-2-yl]-dimethylsilane is C[SiH](C)c1cc2ccc3cccc4ccc(c1CCl)c2c34.
What is the InChIKey of [1-(chloromethyl)pyren-2-yl]-dimethylsilane?
The InChIKey is FURKDTZHSWIXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClSi/c1-21(2)17-10-14-7-6-12-4-3-5-13-8-9-15(16(17)11-20)19(14)18(12)13/h3-10,21H,11H2,1-2H3.
What are the key properties of [1-(chloromethyl)pyren-2-yl]-dimethylsilane?
[1-(chloromethyl)pyren-2-yl]-dimethylsilane has a molecular weight of 308.88 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(chloromethyl)pyren-2-yl]-dimethylsilane is sourced from PubChem (CID 154394398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).