[(2R)-butan-2-yl]-oxo-phenyltin

C10H14OSn — CID 124629035

IUPAC[(2R)-butan-2-yl]-oxo-phenyltin
SMILESCC[C@@H](C)[Sn](=O)c1ccccc1
InChIInChI=1S/C6H5.C4H9.O.Sn/c1-2-4-6-5-3-1;1-3-4-2;;/h1-5H;3H,4H2,1-2H3;;
InChIKeyIDWRSWYHVHCJKX-UHFFFAOYSA-N
MW268.93 g/mol
LogP2.12
Rot. Bonds3

About [(2R)-butan-2-yl]-oxo-phenyltin

[(2R)-butan-2-yl]-oxo-phenyltin (PubChem CID 124629035) has the molecular formula C10H14OSn and a molecular weight of 268.93 g/mol. Its IUPAC name is [(2R)-butan-2-yl]-oxo-phenyltin.

Molecular Properties

Compound Name[(2R)-butan-2-yl]-oxo-phenyltin
PubChem CID124629035
Molecular FormulaC10H14OSn
Molecular Weight268.93 g/mol
Exact Mass270.01
IUPAC Name[(2R)-butan-2-yl]-oxo-phenyltin
SMILESCC[C@@H](C)[Sn](=O)c1ccccc1
InChIInChI=1S/C6H5.C4H9.O.Sn/c1-2-4-6-5-3-1;1-3-4-2;;/h1-5H;3H,4H2,1-2H3;;
InChIKeyIDWRSWYHVHCJKX-UHFFFAOYSA-N
XLogP2.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.93
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-methylheptylbenzene
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triethyl(phenyl)phosphanium chloride
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1,3-dibromo-2-(3-methylpentyl)benzene
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1-amino-4-methyl-1-phenylhexan-2-one
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(1R)-1-amino-4-methyl-1-phenylhexan-2-one
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diphenylmethanone;3-methylheptane
CID 174880774
1-ethyl-2-(2-methylbutyl)benzene
CID 91267290
(2S)-3-phenylpentan-2-ol
CID 45048673
di(butan-2-yl)-hydroxy-phenylsilane
CID 139986252

Frequently Asked Questions

What is the IUPAC name of [(2R)-butan-2-yl]-oxo-phenyltin?
The IUPAC name of [(2R)-butan-2-yl]-oxo-phenyltin (CID 124629035) is [(2R)-butan-2-yl]-oxo-phenyltin.
What is the SMILES notation for [(2R)-butan-2-yl]-oxo-phenyltin?
The canonical SMILES for [(2R)-butan-2-yl]-oxo-phenyltin is CC[C@@H](C)[Sn](=O)c1ccccc1.
What is the InChIKey of [(2R)-butan-2-yl]-oxo-phenyltin?
The InChIKey is IDWRSWYHVHCJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C4H9.O.Sn/c1-2-4-6-5-3-1;1-3-4-2;;/h1-5H;3H,4H2,1-2H3;;.
What are the key properties of [(2R)-butan-2-yl]-oxo-phenyltin?
[(2R)-butan-2-yl]-oxo-phenyltin has a molecular weight of 268.93 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-butan-2-yl]-oxo-phenyltin is sourced from PubChem (CID 124629035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).