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

C16H17NSn — CID 164521656

IUPACtert-butyl-[8-(cyanomethyl)naphthalen-1-yl]tin
SMILESCC(C)(C)[Sn]c1cccc2cccc(CC#N)c12
InChIInChI=1S/C12H8N.C4H9.Sn/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11;1-4(2)3;/h1-6H,8H2;1-3H3;
InChIKeyDTGWXAXQBLVPOJ-UHFFFAOYSA-N
MW342.03 g/mol
LogP3.45
Rot. Bonds2

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

tert-butyl-[8-(cyanomethyl)naphthalen-1-yl]tin (PubChem CID 164521656) has the molecular formula C16H17NSn and a molecular weight of 342.03 g/mol. Its IUPAC name is tert-butyl-[8-(cyanomethyl)naphthalen-1-yl]tin.

Molecular Properties

Compound Nametert-butyl-[8-(cyanomethyl)naphthalen-1-yl]tin
PubChem CID164521656
Molecular FormulaC16H17NSn
Molecular Weight342.03 g/mol
Exact Mass343.04
IUPAC Nametert-butyl-[8-(cyanomethyl)naphthalen-1-yl]tin
SMILESCC(C)(C)[Sn]c1cccc2cccc(CC#N)c12
InChIInChI=1S/C12H8N.C4H9.Sn/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11;1-4(2)3;/h1-6H,8H2;1-3H3;
InChIKeyDTGWXAXQBLVPOJ-UHFFFAOYSA-N
XLogP3.45
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.03
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[8-(cyanomethyl)naphthalen-1-yl]tin?
The IUPAC name of tert-butyl-[8-(cyanomethyl)naphthalen-1-yl]tin (CID 164521656) is tert-butyl-[8-(cyanomethyl)naphthalen-1-yl]tin.
What is the SMILES notation for tert-butyl-[8-(cyanomethyl)naphthalen-1-yl]tin?
The canonical SMILES for tert-butyl-[8-(cyanomethyl)naphthalen-1-yl]tin is CC(C)(C)[Sn]c1cccc2cccc(CC#N)c12.
What is the InChIKey of tert-butyl-[8-(cyanomethyl)naphthalen-1-yl]tin?
The InChIKey is DTGWXAXQBLVPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N.C4H9.Sn/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11;1-4(2)3;/h1-6H,8H2;1-3H3;.
What are the key properties of tert-butyl-[8-(cyanomethyl)naphthalen-1-yl]tin?
tert-butyl-[8-(cyanomethyl)naphthalen-1-yl]tin has a molecular weight of 342.03 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[8-(cyanomethyl)naphthalen-1-yl]tin is sourced from PubChem (CID 164521656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).