(4-ethynylnaphthalen-2-yl)-trimethylsilane

C15H16Si — CID 162499389

IUPAC(4-ethynylnaphthalen-2-yl)-trimethylsilane
SMILESC#Cc1cc([Si](C)(C)C)cc2ccccc12
InChIInChI=1S/C15H16Si/c1-5-12-10-14(16(2,3)4)11-13-8-6-7-9-15(12)13/h1,6-11H,2-4H3
InChIKeyZCDODBHLXLTXSG-UHFFFAOYSA-N
MW224.38 g/mol
LogP3.37
Rot. Bonds1

About (4-ethynylnaphthalen-2-yl)-trimethylsilane

(4-ethynylnaphthalen-2-yl)-trimethylsilane (PubChem CID 162499389) has the molecular formula C15H16Si and a molecular weight of 224.38 g/mol. Its IUPAC name is (4-ethynylnaphthalen-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(4-ethynylnaphthalen-2-yl)-trimethylsilane
PubChem CID162499389
Molecular FormulaC15H16Si
Molecular Weight224.38 g/mol
Exact Mass224.10
IUPAC Name(4-ethynylnaphthalen-2-yl)-trimethylsilane
SMILESC#Cc1cc([Si](C)(C)C)cc2ccccc12
InChIInChI=1S/C15H16Si/c1-5-12-10-14(16(2,3)4)11-13-8-6-7-9-15(12)13/h1,6-11H,2-4H3
InChIKeyZCDODBHLXLTXSG-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 53.37
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

trimethyl-[4-(3-trimethylsilylnaphthalen-1-yl)naphthalen-2-yl]silane
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S-(4-ethynylnaphthalen-2-yl)thiohydroxylamine
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1,2,3-triethynylnaphthalene
CID 139963288
benzene;9-ethynylanthracene
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5-ethynyl-1,10-phenanthroline
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CID 174880137
CID 174880137
12-ethynylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 102419347
trimethyl-(7-trimethylsilylpyren-2-yl)silane
CID 122203195
trimethyl-(20-trimethylsilyl-7-hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaenyl)silane
CID 58411688
4-ethynyl-1-(4-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 139963291
acetonitrile;9-anthracen-9-ylanthracene
CID 71362371

Frequently Asked Questions

What is the IUPAC name of (4-ethynylnaphthalen-2-yl)-trimethylsilane?
The IUPAC name of (4-ethynylnaphthalen-2-yl)-trimethylsilane (CID 162499389) is (4-ethynylnaphthalen-2-yl)-trimethylsilane.
What is the SMILES notation for (4-ethynylnaphthalen-2-yl)-trimethylsilane?
The canonical SMILES for (4-ethynylnaphthalen-2-yl)-trimethylsilane is C#Cc1cc([Si](C)(C)C)cc2ccccc12.
What is the InChIKey of (4-ethynylnaphthalen-2-yl)-trimethylsilane?
The InChIKey is ZCDODBHLXLTXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Si/c1-5-12-10-14(16(2,3)4)11-13-8-6-7-9-15(12)13/h1,6-11H,2-4H3.
What are the key properties of (4-ethynylnaphthalen-2-yl)-trimethylsilane?
(4-ethynylnaphthalen-2-yl)-trimethylsilane has a molecular weight of 224.38 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethynylnaphthalen-2-yl)-trimethylsilane is sourced from PubChem (CID 162499389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).