ethylsulfanylmethoxy-tri(propan-2-yl)silane

C12H28OSSi — CID 11448036

IUPACethylsulfanylmethoxy-tri(propan-2-yl)silane
SMILESCCSCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C12H28OSSi/c1-8-14-9-13-15(10(2)3,11(4)5)12(6)7/h10-12H,8-9H2,1-7H3
InChIKeyMUXHANZAKAJFRL-UHFFFAOYSA-N
MW248.51 g/mol
LogP4.89
Rot. Bonds7

About ethylsulfanylmethoxy-tri(propan-2-yl)silane

ethylsulfanylmethoxy-tri(propan-2-yl)silane (PubChem CID 11448036) has the molecular formula C12H28OSSi and a molecular weight of 248.51 g/mol. Its IUPAC name is ethylsulfanylmethoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Nameethylsulfanylmethoxy-tri(propan-2-yl)silane
PubChem CID11448036
Molecular FormulaC12H28OSSi
Molecular Weight248.51 g/mol
Exact Mass248.16
IUPAC Nameethylsulfanylmethoxy-tri(propan-2-yl)silane
SMILESCCSCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C12H28OSSi/c1-8-14-9-13-15(10(2)3,11(4)5)12(6)7/h10-12H,8-9H2,1-7H3
InChIKeyMUXHANZAKAJFRL-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.51
LogP ≤ 54.89
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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Frequently Asked Questions

What is the IUPAC name of ethylsulfanylmethoxy-tri(propan-2-yl)silane?
The IUPAC name of ethylsulfanylmethoxy-tri(propan-2-yl)silane (CID 11448036) is ethylsulfanylmethoxy-tri(propan-2-yl)silane.
What is the SMILES notation for ethylsulfanylmethoxy-tri(propan-2-yl)silane?
The canonical SMILES for ethylsulfanylmethoxy-tri(propan-2-yl)silane is CCSCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethylsulfanylmethoxy-tri(propan-2-yl)silane?
The InChIKey is MUXHANZAKAJFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28OSSi/c1-8-14-9-13-15(10(2)3,11(4)5)12(6)7/h10-12H,8-9H2,1-7H3.
What are the key properties of ethylsulfanylmethoxy-tri(propan-2-yl)silane?
ethylsulfanylmethoxy-tri(propan-2-yl)silane has a molecular weight of 248.51 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylmethoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11448036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).