trimethyl-[2-(2-methyl-1,3-dithian-2-yl)ethynyl]silane

C10H18S2Si — CID 11447575

IUPACtrimethyl-[2-(2-methyl-1,3-dithian-2-yl)ethynyl]silane
SMILESCC1(C#C[Si](C)(C)C)SCCCS1
InChIInChI=1S/C10H18S2Si/c1-10(6-9-13(2,3)4)11-7-5-8-12-10/h5,7-8H2,1-4H3
InChIKeyOWSXPNBGZNNOAV-UHFFFAOYSA-N
MW230.47 g/mol
LogP3.45
Rot. Bonds

About trimethyl-[2-(2-methyl-1,3-dithian-2-yl)ethynyl]silane

trimethyl-[2-(2-methyl-1,3-dithian-2-yl)ethynyl]silane (PubChem CID 11447575) has the molecular formula C10H18S2Si and a molecular weight of 230.47 g/mol. Its IUPAC name is trimethyl-[2-(2-methyl-1,3-dithian-2-yl)ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(2-methyl-1,3-dithian-2-yl)ethynyl]silane
PubChem CID11447575
Molecular FormulaC10H18S2Si
Molecular Weight230.47 g/mol
Exact Mass230.06
IUPAC Nametrimethyl-[2-(2-methyl-1,3-dithian-2-yl)ethynyl]silane
SMILESCC1(C#C[Si](C)(C)C)SCCCS1
InChIInChI=1S/C10H18S2Si/c1-10(6-9-13(2,3)4)11-7-5-8-12-10/h5,7-8H2,1-4H3
InChIKeyOWSXPNBGZNNOAV-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2-methyl-1,3-dithian-2-yl)ethynyl]silane?
The IUPAC name of trimethyl-[2-(2-methyl-1,3-dithian-2-yl)ethynyl]silane (CID 11447575) is trimethyl-[2-(2-methyl-1,3-dithian-2-yl)ethynyl]silane.
What is the SMILES notation for trimethyl-[2-(2-methyl-1,3-dithian-2-yl)ethynyl]silane?
The canonical SMILES for trimethyl-[2-(2-methyl-1,3-dithian-2-yl)ethynyl]silane is CC1(C#C[Si](C)(C)C)SCCCS1.
What is the InChIKey of trimethyl-[2-(2-methyl-1,3-dithian-2-yl)ethynyl]silane?
The InChIKey is OWSXPNBGZNNOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S2Si/c1-10(6-9-13(2,3)4)11-7-5-8-12-10/h5,7-8H2,1-4H3.
What are the key properties of trimethyl-[2-(2-methyl-1,3-dithian-2-yl)ethynyl]silane?
trimethyl-[2-(2-methyl-1,3-dithian-2-yl)ethynyl]silane has a molecular weight of 230.47 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-methyl-1,3-dithian-2-yl)ethynyl]silane is sourced from PubChem (CID 11447575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).