(E,2S,3S,4S)-2,4-dimethyl-6-tributylstannyl-3-trimethylsilyloxyhex-5-en-1-ol

C23H50O2SiSn — CID 138969958

IUPAC(E,2S,3S,4S)-2,4-dimethyl-6-tributylstannyl-3-trimethylsilyloxyhex-5-en-1-ol
SMILESCCCC[Sn](/C=C/[C@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)CO)(CCCC)CCCC
InChIInChI=1S/C11H23O2Si.3C4H9.Sn/c1-7-9(2)11(10(3)8-12)13-14(4,5)6;3*1-3-4-2;/h1,7,9-12H,8H2,2-6H3;3*1,3-4H2,2H3;/t9-,10-,11-;;;;/m0..../s1
InChIKeyVPTSTPIFXLVKMJ-HFOVUPGXSA-N
MW505.45 g/mol
LogP7.42
Rot. Bonds16

About (E,2S,3S,4S)-2,4-dimethyl-6-tributylstannyl-3-trimethylsilyloxyhex-5-en-1-ol

(E,2S,3S,4S)-2,4-dimethyl-6-tributylstannyl-3-trimethylsilyloxyhex-5-en-1-ol (PubChem CID 138969958) has the molecular formula C23H50O2SiSn and a molecular weight of 505.45 g/mol. Its IUPAC name is (E,2S,3S,4S)-2,4-dimethyl-6-tributylstannyl-3-trimethylsilyloxyhex-5-en-1-ol.

Molecular Properties

Compound Name(E,2S,3S,4S)-2,4-dimethyl-6-tributylstannyl-3-trimethylsilyloxyhex-5-en-1-ol
PubChem CID138969958
Molecular FormulaC23H50O2SiSn
Molecular Weight505.45 g/mol
Exact Mass506.26
IUPAC Name(E,2S,3S,4S)-2,4-dimethyl-6-tributylstannyl-3-trimethylsilyloxyhex-5-en-1-ol
SMILESCCCC[Sn](/C=C/[C@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)CO)(CCCC)CCCC
InChIInChI=1S/C11H23O2Si.3C4H9.Sn/c1-7-9(2)11(10(3)8-12)13-14(4,5)6;3*1-3-4-2;/h1,7,9-12H,8H2,2-6H3;3*1,3-4H2,2H3;/t9-,10-,11-;;;;/m0..../s1
InChIKeyVPTSTPIFXLVKMJ-HFOVUPGXSA-N
XLogP7.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.45
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,2S,3S,4S)-2,4-dimethyl-6-tributylstannyl-3-trimethylsilyloxyhex-5-en-1-ol with MolForge

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Related Compounds

(4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523917
(4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523918
(3S,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523927
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993137
(3R,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993187
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10999289
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol
CID 11580263
(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhepta-1,6-dien-4-ol
CID 60170021
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol
CID 10800361
(2S,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
CID 10868990

Frequently Asked Questions

What is the IUPAC name of (E,2S,3S,4S)-2,4-dimethyl-6-tributylstannyl-3-trimethylsilyloxyhex-5-en-1-ol?
The IUPAC name of (E,2S,3S,4S)-2,4-dimethyl-6-tributylstannyl-3-trimethylsilyloxyhex-5-en-1-ol (CID 138969958) is (E,2S,3S,4S)-2,4-dimethyl-6-tributylstannyl-3-trimethylsilyloxyhex-5-en-1-ol.
What is the SMILES notation for (E,2S,3S,4S)-2,4-dimethyl-6-tributylstannyl-3-trimethylsilyloxyhex-5-en-1-ol?
The canonical SMILES for (E,2S,3S,4S)-2,4-dimethyl-6-tributylstannyl-3-trimethylsilyloxyhex-5-en-1-ol is CCCC[Sn](/C=C/[C@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)CO)(CCCC)CCCC.
What is the InChIKey of (E,2S,3S,4S)-2,4-dimethyl-6-tributylstannyl-3-trimethylsilyloxyhex-5-en-1-ol?
The InChIKey is VPTSTPIFXLVKMJ-HFOVUPGXSA-N. The full InChI is InChI=1S/C11H23O2Si.3C4H9.Sn/c1-7-9(2)11(10(3)8-12)13-14(4,5)6;3*1-3-4-2;/h1,7,9-12H,8H2,2-6H3;3*1,3-4H2,2H3;/t9-,10-,11-;;;;/m0..../s1.
What are the key properties of (E,2S,3S,4S)-2,4-dimethyl-6-tributylstannyl-3-trimethylsilyloxyhex-5-en-1-ol?
(E,2S,3S,4S)-2,4-dimethyl-6-tributylstannyl-3-trimethylsilyloxyhex-5-en-1-ol has a molecular weight of 505.45 g/mol, XLogP of 7.42, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3S,4S)-2,4-dimethyl-6-tributylstannyl-3-trimethylsilyloxyhex-5-en-1-ol is sourced from PubChem (CID 138969958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).