tert-butyl-(7-ethylnaphthalen-2-yl)tin

C16H20Sn — CID 140986663

IUPACtert-butyl-(7-ethylnaphthalen-2-yl)tin
SMILESCCc1ccc2ccc([Sn]C(C)(C)C)cc2c1
InChIInChI=1S/C12H11.C4H9.Sn/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-4(2)3;/h3,5-9H,2H2,1H3;1-3H3;
InChIKeyHRMBCESYLKCXRA-UHFFFAOYSA-N
MW331.05 g/mol
LogP3.95
Rot. Bonds2

About tert-butyl-(7-ethylnaphthalen-2-yl)tin

tert-butyl-(7-ethylnaphthalen-2-yl)tin (PubChem CID 140986663) has the molecular formula C16H20Sn and a molecular weight of 331.05 g/mol. Its IUPAC name is tert-butyl-(7-ethylnaphthalen-2-yl)tin.

Molecular Properties

Compound Nametert-butyl-(7-ethylnaphthalen-2-yl)tin
PubChem CID140986663
Molecular FormulaC16H20Sn
Molecular Weight331.05 g/mol
Exact Mass332.06
IUPAC Nametert-butyl-(7-ethylnaphthalen-2-yl)tin
SMILESCCc1ccc2ccc([Sn]C(C)(C)C)cc2c1
InChIInChI=1S/C12H11.C4H9.Sn/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-4(2)3;/h3,5-9H,2H2,1H3;1-3H3;
InChIKeyHRMBCESYLKCXRA-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.05
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(7-ethylnaphthalen-2-yl)tin?
The IUPAC name of tert-butyl-(7-ethylnaphthalen-2-yl)tin (CID 140986663) is tert-butyl-(7-ethylnaphthalen-2-yl)tin.
What is the SMILES notation for tert-butyl-(7-ethylnaphthalen-2-yl)tin?
The canonical SMILES for tert-butyl-(7-ethylnaphthalen-2-yl)tin is CCc1ccc2ccc([Sn]C(C)(C)C)cc2c1.
What is the InChIKey of tert-butyl-(7-ethylnaphthalen-2-yl)tin?
The InChIKey is HRMBCESYLKCXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11.C4H9.Sn/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-4(2)3;/h3,5-9H,2H2,1H3;1-3H3;.
What are the key properties of tert-butyl-(7-ethylnaphthalen-2-yl)tin?
tert-butyl-(7-ethylnaphthalen-2-yl)tin has a molecular weight of 331.05 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(7-ethylnaphthalen-2-yl)tin is sourced from PubChem (CID 140986663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).