(3R,4R)-2,3-dimethyl-4-phenyl-4-tributylstannylbutan-2-ol

C24H44OSn — CID 134889352

IUPAC(3R,4R)-2,3-dimethyl-4-phenyl-4-tributylstannylbutan-2-ol
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H](c1ccccc1)[C@H](C)C(C)(C)O
InChIInChI=1S/C12H17O.3C4H9.Sn/c1-10(12(2,3)13)9-11-7-5-4-6-8-11;3*1-3-4-2;/h4-10,13H,1-3H3;3*1,3-4H2,2H3;/t10-;;;;/m0..../s1
InChIKeyAKAVNVWELGMPGF-CZEDPBFNSA-N
MW467.33 g/mol
LogP7.57
Rot. Bonds13

About (3R,4R)-2,3-dimethyl-4-phenyl-4-tributylstannylbutan-2-ol

(3R,4R)-2,3-dimethyl-4-phenyl-4-tributylstannylbutan-2-ol (PubChem CID 134889352) has the molecular formula C24H44OSn and a molecular weight of 467.33 g/mol. Its IUPAC name is (3R,4R)-2,3-dimethyl-4-phenyl-4-tributylstannylbutan-2-ol.

Molecular Properties

Compound Name(3R,4R)-2,3-dimethyl-4-phenyl-4-tributylstannylbutan-2-ol
PubChem CID134889352
Molecular FormulaC24H44OSn
Molecular Weight467.33 g/mol
Exact Mass468.24
IUPAC Name(3R,4R)-2,3-dimethyl-4-phenyl-4-tributylstannylbutan-2-ol
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H](c1ccccc1)[C@H](C)C(C)(C)O
InChIInChI=1S/C12H17O.3C4H9.Sn/c1-10(12(2,3)13)9-11-7-5-4-6-8-11;3*1-3-4-2;/h4-10,13H,1-3H3;3*1,3-4H2,2H3;/t10-;;;;/m0..../s1
InChIKeyAKAVNVWELGMPGF-CZEDPBFNSA-N
XLogP7.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.33
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]-N-(1-tributylstannylethyl)carbamate
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(1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-1-ol
CID 10509574
(1R,2R)-1-tributylstannyl-2-(tritylamino)propan-1-ol
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hexane;propan-2-ol;toluene
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(1S)-1-phenylpentan-1-ol
CID 6992754
2,2,4-trimethyloctan-3-ylbenzene
CID 151316851
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
(2R)-2-phenylheptan-3-ol
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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2,3-dimethyl-4-phenyl-4-tributylstannylbutan-2-ol?
The IUPAC name of (3R,4R)-2,3-dimethyl-4-phenyl-4-tributylstannylbutan-2-ol (CID 134889352) is (3R,4R)-2,3-dimethyl-4-phenyl-4-tributylstannylbutan-2-ol.
What is the SMILES notation for (3R,4R)-2,3-dimethyl-4-phenyl-4-tributylstannylbutan-2-ol?
The canonical SMILES for (3R,4R)-2,3-dimethyl-4-phenyl-4-tributylstannylbutan-2-ol is CCCC[Sn](CCCC)(CCCC)[C@@H](c1ccccc1)[C@H](C)C(C)(C)O.
What is the InChIKey of (3R,4R)-2,3-dimethyl-4-phenyl-4-tributylstannylbutan-2-ol?
The InChIKey is AKAVNVWELGMPGF-CZEDPBFNSA-N. The full InChI is InChI=1S/C12H17O.3C4H9.Sn/c1-10(12(2,3)13)9-11-7-5-4-6-8-11;3*1-3-4-2;/h4-10,13H,1-3H3;3*1,3-4H2,2H3;/t10-;;;;/m0..../s1.
What are the key properties of (3R,4R)-2,3-dimethyl-4-phenyl-4-tributylstannylbutan-2-ol?
(3R,4R)-2,3-dimethyl-4-phenyl-4-tributylstannylbutan-2-ol has a molecular weight of 467.33 g/mol, XLogP of 7.57, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2,3-dimethyl-4-phenyl-4-tributylstannylbutan-2-ol is sourced from PubChem (CID 134889352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).