[chloro-(4-ethylphenyl)methyl]-trimethylsilane

C12H19ClSi — CID 171781017

IUPAC[chloro-(4-ethylphenyl)methyl]-trimethylsilane
SMILESCCc1ccc(C(Cl)[Si](C)(C)C)cc1
InChIInChI=1S/C12H19ClSi/c1-5-10-6-8-11(9-7-10)12(13)14(2,3)4/h6-9,12H,5H2,1-4H3
InChIKeyUVLAWBJIKIVTIO-UHFFFAOYSA-N
MW226.82 g/mol
LogP4.41
Rot. Bonds3

About [chloro-(4-ethylphenyl)methyl]-trimethylsilane

[chloro-(4-ethylphenyl)methyl]-trimethylsilane (PubChem CID 171781017) has the molecular formula C12H19ClSi and a molecular weight of 226.82 g/mol. Its IUPAC name is [chloro-(4-ethylphenyl)methyl]-trimethylsilane.

Molecular Properties

Compound Name[chloro-(4-ethylphenyl)methyl]-trimethylsilane
PubChem CID171781017
Molecular FormulaC12H19ClSi
Molecular Weight226.82 g/mol
Exact Mass226.09
IUPAC Name[chloro-(4-ethylphenyl)methyl]-trimethylsilane
SMILESCCc1ccc(C(Cl)[Si](C)(C)C)cc1
InChIInChI=1S/C12H19ClSi/c1-5-10-6-8-11(9-7-10)12(13)14(2,3)4/h6-9,12H,5H2,1-4H3
InChIKeyUVLAWBJIKIVTIO-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.82
LogP ≤ 54.41
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'}

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Related Compounds

chloro-(4-ethylphenyl)methanamine
CID 116947710
4-[chloro-(4-ethylphenyl)methyl]pyridine
CID 114996829
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
1-(1-chloro-2-methylpentyl)-4-ethylbenzene
CID 63431673
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane
CID 91207141
1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55197752
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576
3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran
CID 61085601
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene
CID 63431842

Frequently Asked Questions

What is the IUPAC name of [chloro-(4-ethylphenyl)methyl]-trimethylsilane?
The IUPAC name of [chloro-(4-ethylphenyl)methyl]-trimethylsilane (CID 171781017) is [chloro-(4-ethylphenyl)methyl]-trimethylsilane.
What is the SMILES notation for [chloro-(4-ethylphenyl)methyl]-trimethylsilane?
The canonical SMILES for [chloro-(4-ethylphenyl)methyl]-trimethylsilane is CCc1ccc(C(Cl)[Si](C)(C)C)cc1.
What is the InChIKey of [chloro-(4-ethylphenyl)methyl]-trimethylsilane?
The InChIKey is UVLAWBJIKIVTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClSi/c1-5-10-6-8-11(9-7-10)12(13)14(2,3)4/h6-9,12H,5H2,1-4H3.
What are the key properties of [chloro-(4-ethylphenyl)methyl]-trimethylsilane?
[chloro-(4-ethylphenyl)methyl]-trimethylsilane has a molecular weight of 226.82 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-(4-ethylphenyl)methyl]-trimethylsilane is sourced from PubChem (CID 171781017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).