dimethyl-bis(2-phenylethynyl)silane;dimethyl-(2-phenylethynyl)-prop-1-ynylsilane;bis(prop-1-yne)

C37H38Si2 — CID 163895309

IUPACdimethyl-bis(2-phenylethynyl)silane;dimethyl-(2-phenylethynyl)-prop-1-ynylsilane;bis(prop-1-yne)
SMILESC#CC.C#CC.CC#C[Si](C)(C)C#Cc1ccccc1.C[Si](C)(C#Cc1ccccc1)C#Cc1ccccc1
InChIInChI=1S/C18H16Si.C13H14Si.2C3H4/c1-19(2,15-13-17-9-5-3-6-10-17)16-14-18-11-7-4-8-12-18;1-4-11-14(2,3)12-10-13-8-6-5-7-9-13;2*1-3-2/h3-12H,1-2H3;5-9H,1-3H3;2*1H,2H3
InChIKeyQFCKDADQTADSMY-UHFFFAOYSA-N
MW538.88 g/mol
LogP8.00
Rot. Bonds

About dimethyl-bis(2-phenylethynyl)silane;dimethyl-(2-phenylethynyl)-prop-1-ynylsilane;bis(prop-1-yne)

dimethyl-bis(2-phenylethynyl)silane;dimethyl-(2-phenylethynyl)-prop-1-ynylsilane;bis(prop-1-yne) (PubChem CID 163895309) has the molecular formula C37H38Si2 and a molecular weight of 538.88 g/mol. Its IUPAC name is dimethyl-bis(2-phenylethynyl)silane;dimethyl-(2-phenylethynyl)-prop-1-ynylsilane;bis(prop-1-yne).

Molecular Properties

Compound Namedimethyl-bis(2-phenylethynyl)silane;dimethyl-(2-phenylethynyl)-prop-1-ynylsilane;bis(prop-1-yne)
PubChem CID163895309
Molecular FormulaC37H38Si2
Molecular Weight538.88 g/mol
Exact Mass538.25
IUPAC Namedimethyl-bis(2-phenylethynyl)silane;dimethyl-(2-phenylethynyl)-prop-1-ynylsilane;bis(prop-1-yne)
SMILESC#CC.C#CC.CC#C[Si](C)(C)C#Cc1ccccc1.C[Si](C)(C#Cc1ccccc1)C#Cc1ccccc1
InChIInChI=1S/C18H16Si.C13H14Si.2C3H4/c1-19(2,15-13-17-9-5-3-6-10-17)16-14-18-11-7-4-8-12-18;1-4-11-14(2,3)12-10-13-8-6-5-7-9-13;2*1-3-2/h3-12H,1-2H3;5-9H,1-3H3;2*1H,2H3
InChIKeyQFCKDADQTADSMY-UHFFFAOYSA-N
XLogP8.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.88
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 dimethyl-bis(2-phenylethynyl)silane;dimethyl-(2-phenylethynyl)-prop-1-ynylsilane;bis(prop-1-yne)?
The IUPAC name of dimethyl-bis(2-phenylethynyl)silane;dimethyl-(2-phenylethynyl)-prop-1-ynylsilane;bis(prop-1-yne) (CID 163895309) is dimethyl-bis(2-phenylethynyl)silane;dimethyl-(2-phenylethynyl)-prop-1-ynylsilane;bis(prop-1-yne).
What is the SMILES notation for dimethyl-bis(2-phenylethynyl)silane;dimethyl-(2-phenylethynyl)-prop-1-ynylsilane;bis(prop-1-yne)?
The canonical SMILES for dimethyl-bis(2-phenylethynyl)silane;dimethyl-(2-phenylethynyl)-prop-1-ynylsilane;bis(prop-1-yne) is C#CC.C#CC.CC#C[Si](C)(C)C#Cc1ccccc1.C[Si](C)(C#Cc1ccccc1)C#Cc1ccccc1.
What is the InChIKey of dimethyl-bis(2-phenylethynyl)silane;dimethyl-(2-phenylethynyl)-prop-1-ynylsilane;bis(prop-1-yne)?
The InChIKey is QFCKDADQTADSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Si.C13H14Si.2C3H4/c1-19(2,15-13-17-9-5-3-6-10-17)16-14-18-11-7-4-8-12-18;1-4-11-14(2,3)12-10-13-8-6-5-7-9-13;2*1-3-2/h3-12H,1-2H3;5-9H,1-3H3;2*1H,2H3.
What are the key properties of dimethyl-bis(2-phenylethynyl)silane;dimethyl-(2-phenylethynyl)-prop-1-ynylsilane;bis(prop-1-yne)?
dimethyl-bis(2-phenylethynyl)silane;dimethyl-(2-phenylethynyl)-prop-1-ynylsilane;bis(prop-1-yne) has a molecular weight of 538.88 g/mol, XLogP of 8.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(2-phenylethynyl)silane;dimethyl-(2-phenylethynyl)-prop-1-ynylsilane;bis(prop-1-yne) is sourced from PubChem (CID 163895309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).