(2R,3S)-3-tributylstannyloctan-2-ol

C20H44OSn — CID 177407142

IUPAC(2R,3S)-3-tributylstannyloctan-2-ol
SMILESCCCCC[C@@H]([C@@H](C)O)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H17O.3C4H9.Sn/c1-3-4-5-6-7-8(2)9;3*1-3-4-2;/h7-9H,3-6H2,1-2H3;3*1,3-4H2,2H3;/t8-;;;;/m1..../s1
InChIKeyBEEKGKMWPPHOTK-XWCOYVICSA-N
MW419.28 g/mol
LogP7.17
Rot. Bonds15

About (2R,3S)-3-tributylstannyloctan-2-ol

(2R,3S)-3-tributylstannyloctan-2-ol (PubChem CID 177407142) has the molecular formula C20H44OSn and a molecular weight of 419.28 g/mol. Its IUPAC name is (2R,3S)-3-tributylstannyloctan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-tributylstannyloctan-2-ol
PubChem CID177407142
Molecular FormulaC20H44OSn
Molecular Weight419.28 g/mol
Exact Mass420.24
IUPAC Name(2R,3S)-3-tributylstannyloctan-2-ol
SMILESCCCCC[C@@H]([C@@H](C)O)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H17O.3C4H9.Sn/c1-3-4-5-6-7-8(2)9;3*1-3-4-2;/h7-9H,3-6H2,1-2H3;3*1,3-4H2,2H3;/t8-;;;;/m1..../s1
InChIKeyBEEKGKMWPPHOTK-XWCOYVICSA-N
XLogP7.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.28
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-methyl-1-tributylstannylpropan-1-ol
CID 71355540
(2R)-heptan-2-ol
CID 6992611
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
(2R,3S)-dodecane-2,3-diol
CID 163394646
tributyl(hexan-2-yl)stannane
CID 88731679
octane-2,3-diol;hydrochloride
CID 175007054
(2S)-heptan-2-ol;hydrochloride
CID 141119609
octan-2-ol
CID 20083
(2S)-octadecan-2-ol
CID 25022019
heptan-2-ol;hydroxylamine
CID 88625997
docosan-2-ol
CID 14151025
heptane;heptan-2-ol
CID 157400640

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-tributylstannyloctan-2-ol?
The IUPAC name of (2R,3S)-3-tributylstannyloctan-2-ol (CID 177407142) is (2R,3S)-3-tributylstannyloctan-2-ol.
What is the SMILES notation for (2R,3S)-3-tributylstannyloctan-2-ol?
The canonical SMILES for (2R,3S)-3-tributylstannyloctan-2-ol is CCCCC[C@@H]([C@@H](C)O)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of (2R,3S)-3-tributylstannyloctan-2-ol?
The InChIKey is BEEKGKMWPPHOTK-XWCOYVICSA-N. The full InChI is InChI=1S/C8H17O.3C4H9.Sn/c1-3-4-5-6-7-8(2)9;3*1-3-4-2;/h7-9H,3-6H2,1-2H3;3*1,3-4H2,2H3;/t8-;;;;/m1..../s1.
What are the key properties of (2R,3S)-3-tributylstannyloctan-2-ol?
(2R,3S)-3-tributylstannyloctan-2-ol has a molecular weight of 419.28 g/mol, XLogP of 7.17, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-tributylstannyloctan-2-ol is sourced from PubChem (CID 177407142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).