2-adamantyl(triphenyl)stannane

C28H30Sn — CID 13131441

IUPAC2-adamantyl(triphenyl)stannane
SMILESc1ccc([Sn](c2ccccc2)(c2ccccc2)C2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C10H15.3C6H5.Sn/c1-7-2-9-4-8(1)5-10(3-7)6-9;3*1-2-4-6-5-3-1;/h1,7-10H,2-6H2;3*1-5H;
InChIKeyNBIKICMCVGGKCS-UHFFFAOYSA-N
MW485.26 g/mol
LogP4.98
Rot. Bonds4

About 2-adamantyl(triphenyl)stannane

2-adamantyl(triphenyl)stannane (PubChem CID 13131441) has the molecular formula C28H30Sn and a molecular weight of 485.26 g/mol. Its IUPAC name is 2-adamantyl(triphenyl)stannane.

Molecular Properties

Compound Name2-adamantyl(triphenyl)stannane
PubChem CID13131441
Molecular FormulaC28H30Sn
Molecular Weight485.26 g/mol
Exact Mass486.14
IUPAC Name2-adamantyl(triphenyl)stannane
SMILESc1ccc([Sn](c2ccccc2)(c2ccccc2)C2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C10H15.3C6H5.Sn/c1-7-2-9-4-8(1)5-10(3-7)6-9;3*1-2-4-6-5-3-1;/h1,7-10H,2-6H2;3*1-5H;
InChIKeyNBIKICMCVGGKCS-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.26
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl(triphenyl)stannane?
The IUPAC name of 2-adamantyl(triphenyl)stannane (CID 13131441) is 2-adamantyl(triphenyl)stannane.
What is the SMILES notation for 2-adamantyl(triphenyl)stannane?
The canonical SMILES for 2-adamantyl(triphenyl)stannane is c1ccc([Sn](c2ccccc2)(c2ccccc2)C2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 2-adamantyl(triphenyl)stannane?
The InChIKey is NBIKICMCVGGKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.3C6H5.Sn/c1-7-2-9-4-8(1)5-10(3-7)6-9;3*1-2-4-6-5-3-1;/h1,7-10H,2-6H2;3*1-5H;.
What are the key properties of 2-adamantyl(triphenyl)stannane?
2-adamantyl(triphenyl)stannane has a molecular weight of 485.26 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl(triphenyl)stannane is sourced from PubChem (CID 13131441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).