(3,3-dideuterio-6-phenylhex-1-ynyl)-trimethylsilane

C15H22Si — CID 11183880

IUPAC(3,3-dideuterio-6-phenylhex-1-ynyl)-trimethylsilane
SMILES[2H]C([2H])(C#C[Si](C)(C)C)CCCc1ccccc1
InChIInChI=1S/C15H22Si/c1-16(2,3)14-10-5-4-7-11-15-12-8-6-9-13-15/h6,8-9,12-13H,4-5,7,11H2,1-3H3/i5D2
InChIKeyZXLPSAHUZHJVGR-BFWBPSQCSA-N
MW232.44 g/mol
LogP4.28
Rot. Bonds4

About (3,3-dideuterio-6-phenylhex-1-ynyl)-trimethylsilane

(3,3-dideuterio-6-phenylhex-1-ynyl)-trimethylsilane (PubChem CID 11183880) has the molecular formula C15H22Si and a molecular weight of 232.44 g/mol. Its IUPAC name is (3,3-dideuterio-6-phenylhex-1-ynyl)-trimethylsilane.

Molecular Properties

Compound Name(3,3-dideuterio-6-phenylhex-1-ynyl)-trimethylsilane
PubChem CID11183880
Molecular FormulaC15H22Si
Molecular Weight232.44 g/mol
Exact Mass232.16
IUPAC Name(3,3-dideuterio-6-phenylhex-1-ynyl)-trimethylsilane
SMILES[2H]C([2H])(C#C[Si](C)(C)C)CCCc1ccccc1
InChIInChI=1S/C15H22Si/c1-16(2,3)14-10-5-4-7-11-15-12-8-6-9-13-15/h6,8-9,12-13H,4-5,7,11H2,1-3H3/i5D2
InChIKeyZXLPSAHUZHJVGR-BFWBPSQCSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 54.28
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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Related Compounds

4-phenylbutylbenzene
CID 141301927
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
(3R)-1-phenyl-3-(trifluoromethyl)-6-trimethylsilylhex-5-yn-3-ol
CID 71663566
potassium;hydride;octadecylbenzene
CID 173344678
dihydroxy-methyl-(6-phenylhexyl)silane
CID 11586756
[(Z)-3,9-diphenylnon-3-en-1,5-diynyl]-trimethylsilane
CID 10854822
CID 159131095
CID 159131095
1,4-bis(3-phenylpropyl)benzene
CID 59467322
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of (3,3-dideuterio-6-phenylhex-1-ynyl)-trimethylsilane?
The IUPAC name of (3,3-dideuterio-6-phenylhex-1-ynyl)-trimethylsilane (CID 11183880) is (3,3-dideuterio-6-phenylhex-1-ynyl)-trimethylsilane.
What is the SMILES notation for (3,3-dideuterio-6-phenylhex-1-ynyl)-trimethylsilane?
The canonical SMILES for (3,3-dideuterio-6-phenylhex-1-ynyl)-trimethylsilane is [2H]C([2H])(C#C[Si](C)(C)C)CCCc1ccccc1.
What is the InChIKey of (3,3-dideuterio-6-phenylhex-1-ynyl)-trimethylsilane?
The InChIKey is ZXLPSAHUZHJVGR-BFWBPSQCSA-N. The full InChI is InChI=1S/C15H22Si/c1-16(2,3)14-10-5-4-7-11-15-12-8-6-9-13-15/h6,8-9,12-13H,4-5,7,11H2,1-3H3/i5D2.
What are the key properties of (3,3-dideuterio-6-phenylhex-1-ynyl)-trimethylsilane?
(3,3-dideuterio-6-phenylhex-1-ynyl)-trimethylsilane has a molecular weight of 232.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dideuterio-6-phenylhex-1-ynyl)-trimethylsilane is sourced from PubChem (CID 11183880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).