dimethyl-[2-(2-phenylethyl)-1,3-dithian-2-yl]-prop-2-enylsilane

C17H26S2Si — CID 135078488

IUPACdimethyl-[2-(2-phenylethyl)-1,3-dithian-2-yl]-prop-2-enylsilane
SMILESC=CC[Si](C)(C)C1(CCc2ccccc2)SCCCS1
InChIInChI=1S/C17H26S2Si/c1-4-15-20(2,3)17(18-13-8-14-19-17)12-11-16-9-6-5-7-10-16/h4-7,9-10H,1,8,11-15H2,2-3H3
InChIKeyOOHAFETWNQKZCR-UHFFFAOYSA-N
MW322.62 g/mol
LogP5.62
Rot. Bonds6

About dimethyl-[2-(2-phenylethyl)-1,3-dithian-2-yl]-prop-2-enylsilane

dimethyl-[2-(2-phenylethyl)-1,3-dithian-2-yl]-prop-2-enylsilane (PubChem CID 135078488) has the molecular formula C17H26S2Si and a molecular weight of 322.62 g/mol. Its IUPAC name is dimethyl-[2-(2-phenylethyl)-1,3-dithian-2-yl]-prop-2-enylsilane.

Molecular Properties

Compound Namedimethyl-[2-(2-phenylethyl)-1,3-dithian-2-yl]-prop-2-enylsilane
PubChem CID135078488
Molecular FormulaC17H26S2Si
Molecular Weight322.62 g/mol
Exact Mass322.12
IUPAC Namedimethyl-[2-(2-phenylethyl)-1,3-dithian-2-yl]-prop-2-enylsilane
SMILESC=CC[Si](C)(C)C1(CCc2ccccc2)SCCCS1
InChIInChI=1S/C17H26S2Si/c1-4-15-20(2,3)17(18-13-8-14-19-17)12-11-16-9-6-5-7-10-16/h4-7,9-10H,1,8,11-15H2,2-3H3
InChIKeyOOHAFETWNQKZCR-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(2-phenylethyl)-1,3-dithian-2-yl]-prop-2-enylsilane?
The IUPAC name of dimethyl-[2-(2-phenylethyl)-1,3-dithian-2-yl]-prop-2-enylsilane (CID 135078488) is dimethyl-[2-(2-phenylethyl)-1,3-dithian-2-yl]-prop-2-enylsilane.
What is the SMILES notation for dimethyl-[2-(2-phenylethyl)-1,3-dithian-2-yl]-prop-2-enylsilane?
The canonical SMILES for dimethyl-[2-(2-phenylethyl)-1,3-dithian-2-yl]-prop-2-enylsilane is C=CC[Si](C)(C)C1(CCc2ccccc2)SCCCS1.
What is the InChIKey of dimethyl-[2-(2-phenylethyl)-1,3-dithian-2-yl]-prop-2-enylsilane?
The InChIKey is OOHAFETWNQKZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26S2Si/c1-4-15-20(2,3)17(18-13-8-14-19-17)12-11-16-9-6-5-7-10-16/h4-7,9-10H,1,8,11-15H2,2-3H3.
What are the key properties of dimethyl-[2-(2-phenylethyl)-1,3-dithian-2-yl]-prop-2-enylsilane?
dimethyl-[2-(2-phenylethyl)-1,3-dithian-2-yl]-prop-2-enylsilane has a molecular weight of 322.62 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(2-phenylethyl)-1,3-dithian-2-yl]-prop-2-enylsilane is sourced from PubChem (CID 135078488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).