tributyl-[(S)-deuterio(phenyl)methyl]stannane

C19H34Sn — CID 138962774

IUPACtributyl-[(S)-deuterio(phenyl)methyl]stannane
SMILES[2H][C@@H](c1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H7.3C4H9.Sn/c1-7-5-3-2-4-6-7;3*1-3-4-2;/h2-6H,1H2;3*1,3-4H2,2H3;/i1D;;;;
InChIKeyCFIHCJJFWPTAOV-DVMMRAMLSA-N
MW382.20 g/mol
LogP6.62
Rot. Bonds11

About tributyl-[(S)-deuterio(phenyl)methyl]stannane

tributyl-[(S)-deuterio(phenyl)methyl]stannane (PubChem CID 138962774) has the molecular formula C19H34Sn and a molecular weight of 382.20 g/mol. Its IUPAC name is tributyl-[(S)-deuterio(phenyl)methyl]stannane.

Molecular Properties

Compound Nametributyl-[(S)-deuterio(phenyl)methyl]stannane
PubChem CID138962774
Molecular FormulaC19H34Sn
Molecular Weight382.20 g/mol
Exact Mass383.17
IUPAC Nametributyl-[(S)-deuterio(phenyl)methyl]stannane
SMILES[2H][C@@H](c1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H7.3C4H9.Sn/c1-7-5-3-2-4-6-7;3*1-3-4-2;/h2-6H,1H2;3*1,3-4H2,2H3;/i1D;;;;
InChIKeyCFIHCJJFWPTAOV-DVMMRAMLSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.20
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(S)-deuterio(phenyl)methyl]stannane?
The IUPAC name of tributyl-[(S)-deuterio(phenyl)methyl]stannane (CID 138962774) is tributyl-[(S)-deuterio(phenyl)methyl]stannane.
What is the SMILES notation for tributyl-[(S)-deuterio(phenyl)methyl]stannane?
The canonical SMILES for tributyl-[(S)-deuterio(phenyl)methyl]stannane is [2H][C@@H](c1ccccc1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(S)-deuterio(phenyl)methyl]stannane?
The InChIKey is CFIHCJJFWPTAOV-DVMMRAMLSA-N. The full InChI is InChI=1S/C7H7.3C4H9.Sn/c1-7-5-3-2-4-6-7;3*1-3-4-2;/h2-6H,1H2;3*1,3-4H2,2H3;/i1D;;;;.
What are the key properties of tributyl-[(S)-deuterio(phenyl)methyl]stannane?
tributyl-[(S)-deuterio(phenyl)methyl]stannane has a molecular weight of 382.20 g/mol, XLogP of 6.62, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(S)-deuterio(phenyl)methyl]stannane is sourced from PubChem (CID 138962774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).