(methoxy-phenylsulfanyl-trimethylsilylmethyl)-trimethylsilane

C14H26OSSi2 — CID 14636715

IUPAC(methoxy-phenylsulfanyl-trimethylsilylmethyl)-trimethylsilane
SMILESCOC(Sc1ccccc1)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H26OSSi2/c1-15-14(17(2,3)4,18(5,6)7)16-13-11-9-8-10-12-13/h8-12H,1-7H3
InChIKeyHDVRDPXHGNATFY-UHFFFAOYSA-N
MW298.60 g/mol
LogP4.88
Rot. Bonds5

About (methoxy-phenylsulfanyl-trimethylsilylmethyl)-trimethylsilane

(methoxy-phenylsulfanyl-trimethylsilylmethyl)-trimethylsilane (PubChem CID 14636715) has the molecular formula C14H26OSSi2 and a molecular weight of 298.60 g/mol. Its IUPAC name is (methoxy-phenylsulfanyl-trimethylsilylmethyl)-trimethylsilane.

Molecular Properties

Compound Name(methoxy-phenylsulfanyl-trimethylsilylmethyl)-trimethylsilane
PubChem CID14636715
Molecular FormulaC14H26OSSi2
Molecular Weight298.60 g/mol
Exact Mass298.12
IUPAC Name(methoxy-phenylsulfanyl-trimethylsilylmethyl)-trimethylsilane
SMILESCOC(Sc1ccccc1)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H26OSSi2/c1-15-14(17(2,3)4,18(5,6)7)16-13-11-9-8-10-12-13/h8-12H,1-7H3
InChIKeyHDVRDPXHGNATFY-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.60
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (methoxy-phenylsulfanyl-trimethylsilylmethyl)-trimethylsilane?
The IUPAC name of (methoxy-phenylsulfanyl-trimethylsilylmethyl)-trimethylsilane (CID 14636715) is (methoxy-phenylsulfanyl-trimethylsilylmethyl)-trimethylsilane.
What is the SMILES notation for (methoxy-phenylsulfanyl-trimethylsilylmethyl)-trimethylsilane?
The canonical SMILES for (methoxy-phenylsulfanyl-trimethylsilylmethyl)-trimethylsilane is COC(Sc1ccccc1)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of (methoxy-phenylsulfanyl-trimethylsilylmethyl)-trimethylsilane?
The InChIKey is HDVRDPXHGNATFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OSSi2/c1-15-14(17(2,3)4,18(5,6)7)16-13-11-9-8-10-12-13/h8-12H,1-7H3.
What are the key properties of (methoxy-phenylsulfanyl-trimethylsilylmethyl)-trimethylsilane?
(methoxy-phenylsulfanyl-trimethylsilylmethyl)-trimethylsilane has a molecular weight of 298.60 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (methoxy-phenylsulfanyl-trimethylsilylmethyl)-trimethylsilane is sourced from PubChem (CID 14636715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).