tert-butyl-[8-(2-trimethylsilylethynyl)naphthalen-1-yl]tin

C19H24SiSn — CID 164521897

IUPACtert-butyl-[8-(2-trimethylsilylethynyl)naphthalen-1-yl]tin
SMILESCC(C)(C)[Sn]c1cccc2cccc(C#C[Si](C)(C)C)c12
InChIInChI=1S/C15H15Si.C4H9.Sn/c1-16(2,3)12-11-14-9-6-8-13-7-4-5-10-15(13)14;1-4(2)3;/h4-9H,1-3H3;1-3H3;
InChIKeyOFHJBKSMTRDJNF-UHFFFAOYSA-N
MW399.20 g/mol
LogP4.62
Rot. Bonds1

About tert-butyl-[8-(2-trimethylsilylethynyl)naphthalen-1-yl]tin

tert-butyl-[8-(2-trimethylsilylethynyl)naphthalen-1-yl]tin (PubChem CID 164521897) has the molecular formula C19H24SiSn and a molecular weight of 399.20 g/mol. Its IUPAC name is tert-butyl-[8-(2-trimethylsilylethynyl)naphthalen-1-yl]tin.

Molecular Properties

Compound Nametert-butyl-[8-(2-trimethylsilylethynyl)naphthalen-1-yl]tin
PubChem CID164521897
Molecular FormulaC19H24SiSn
Molecular Weight399.20 g/mol
Exact Mass400.07
IUPAC Nametert-butyl-[8-(2-trimethylsilylethynyl)naphthalen-1-yl]tin
SMILESCC(C)(C)[Sn]c1cccc2cccc(C#C[Si](C)(C)C)c12
InChIInChI=1S/C15H15Si.C4H9.Sn/c1-16(2,3)12-11-14-9-6-8-13-7-4-5-10-15(13)14;1-4(2)3;/h4-9H,1-3H3;1-3H3;
InChIKeyOFHJBKSMTRDJNF-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.20
LogP ≤ 54.62
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

tert-butyl-[8-(cyanomethyl)naphthalen-1-yl]tin
CID 164521656
trimethyl-[2-[10-(2-trimethylsilylethynyl)fluoranthen-7-yl]ethynyl]silane
CID 10949276
trimethyl-[2-[8-(2-trimethylsilylethynyl)acenaphthyleno[1,2-b]quinoxalin-11-yl]ethynyl]silane
CID 86211212
1,8-bis(3,3-dimethylbut-1-ynyl)naphthalene
CID 169050200
2-chrysen-5-yl(1,2-13C2)ethynyl(trimethyl)silane
CID 66552882
trimethyl(2-pentacen-1-ylethynyl)silane
CID 141150264
trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane
CID 90751559
trimethyl-[2-[2-trimethylsilyl-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
CID 139768506
trimethyl-[2-[2-(trifluoromethyl)phenyl]ethynyl]silane
CID 68607160
trimethyl-[2-[12,21,27-tris(2-trimethylsilylethynyl)-4-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaenyl]ethynyl]silane
CID 54765406
6-(2-trimethylsilylethynyl)pyridine-2-carbonitrile
CID 135049966
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[8-(2-trimethylsilylethynyl)naphthalen-1-yl]tin?
The IUPAC name of tert-butyl-[8-(2-trimethylsilylethynyl)naphthalen-1-yl]tin (CID 164521897) is tert-butyl-[8-(2-trimethylsilylethynyl)naphthalen-1-yl]tin.
What is the SMILES notation for tert-butyl-[8-(2-trimethylsilylethynyl)naphthalen-1-yl]tin?
The canonical SMILES for tert-butyl-[8-(2-trimethylsilylethynyl)naphthalen-1-yl]tin is CC(C)(C)[Sn]c1cccc2cccc(C#C[Si](C)(C)C)c12.
What is the InChIKey of tert-butyl-[8-(2-trimethylsilylethynyl)naphthalen-1-yl]tin?
The InChIKey is OFHJBKSMTRDJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Si.C4H9.Sn/c1-16(2,3)12-11-14-9-6-8-13-7-4-5-10-15(13)14;1-4(2)3;/h4-9H,1-3H3;1-3H3;.
What are the key properties of tert-butyl-[8-(2-trimethylsilylethynyl)naphthalen-1-yl]tin?
tert-butyl-[8-(2-trimethylsilylethynyl)naphthalen-1-yl]tin has a molecular weight of 399.20 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[8-(2-trimethylsilylethynyl)naphthalen-1-yl]tin is sourced from PubChem (CID 164521897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).