2-[(2,6-dimethylphenyl)sulfanylmethoxy]ethyl-trimethylsilane

C14H24OSSi — CID 171362122

IUPAC2-[(2,6-dimethylphenyl)sulfanylmethoxy]ethyl-trimethylsilane
SMILESCc1cccc(C)c1SCOCC[Si](C)(C)C
InChIInChI=1S/C14H24OSSi/c1-12-7-6-8-13(2)14(12)16-11-15-9-10-17(3,4)5/h6-8H,9-11H2,1-5H3
InChIKeyCHQXEXITYITMMW-UHFFFAOYSA-N
MW268.50 g/mol
LogP4.71
Rot. Bonds6

About 2-[(2,6-dimethylphenyl)sulfanylmethoxy]ethyl-trimethylsilane

2-[(2,6-dimethylphenyl)sulfanylmethoxy]ethyl-trimethylsilane (PubChem CID 171362122) has the molecular formula C14H24OSSi and a molecular weight of 268.50 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)sulfanylmethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)sulfanylmethoxy]ethyl-trimethylsilane
PubChem CID171362122
Molecular FormulaC14H24OSSi
Molecular Weight268.50 g/mol
Exact Mass268.13
IUPAC Name2-[(2,6-dimethylphenyl)sulfanylmethoxy]ethyl-trimethylsilane
SMILESCc1cccc(C)c1SCOCC[Si](C)(C)C
InChIInChI=1S/C14H24OSSi/c1-12-7-6-8-13(2)14(12)16-11-15-9-10-17(3,4)5/h6-8H,9-11H2,1-5H3
InChIKeyCHQXEXITYITMMW-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.50
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,6-dimethylphenyl)sulfanylethylsulfanyl]-1,3-dimethylbenzene
CID 54047328
2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 70196598
2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate
CID 158104878
trimethyl-[2-(phenylmethoxymethoxy)ethyl]silane
CID 15148810
trimethyl-[2-(thiophen-2-ylmethoxy)ethyl]silane
CID 10420808
3-(2,6-dimethylphenyl)sulfanylpropan-1-ol
CID 143590837
2-[(2,6-ditert-butylphenoxy)methoxy]ethyl-trimethylsilane
CID 140987625
2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile
CID 151134961
trimethyl-[2-[[2-[2-(2-trimethylsilylethoxymethoxy)phenyl]phenoxy]methoxy]ethyl]silane
CID 101047585
2-(2-methoxyethylsulfanyl)-3-methylbenzonitrile
CID 107110812
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
2-[[3-(chloromethyl)phenoxy]methoxy]ethyl-trimethylsilane
CID 22127918

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)sulfanylmethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2,6-dimethylphenyl)sulfanylmethoxy]ethyl-trimethylsilane (CID 171362122) is 2-[(2,6-dimethylphenyl)sulfanylmethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)sulfanylmethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2,6-dimethylphenyl)sulfanylmethoxy]ethyl-trimethylsilane is Cc1cccc(C)c1SCOCC[Si](C)(C)C.
What is the InChIKey of 2-[(2,6-dimethylphenyl)sulfanylmethoxy]ethyl-trimethylsilane?
The InChIKey is CHQXEXITYITMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OSSi/c1-12-7-6-8-13(2)14(12)16-11-15-9-10-17(3,4)5/h6-8H,9-11H2,1-5H3.
What are the key properties of 2-[(2,6-dimethylphenyl)sulfanylmethoxy]ethyl-trimethylsilane?
2-[(2,6-dimethylphenyl)sulfanylmethoxy]ethyl-trimethylsilane has a molecular weight of 268.50 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)sulfanylmethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 171362122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).