(Z,2S)-6-tributylstannyl-1-trityloxyhex-4-en-2-ol

C37H52O2Sn — CID 134940422

IUPAC(Z,2S)-6-tributylstannyl-1-trityloxyhex-4-en-2-ol
SMILESCCCC[Sn](C/C=C\C[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1)(CCCC)CCCC
InChIInChI=1S/C25H25O2.3C4H9.Sn/c1-2-3-19-24(26)20-27-25(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23;3*1-3-4-2;/h2-18,24,26H,1,19-20H2;3*1,3-4H2,2H3;/b3-2-;;;;/t24-;;;;/m0..../s1
InChIKeyZACMXYQZPCFCAJ-VWXMKOEGSA-N
MW647.53 g/mol
LogP10.15
Rot. Bonds19

About (Z,2S)-6-tributylstannyl-1-trityloxyhex-4-en-2-ol

(Z,2S)-6-tributylstannyl-1-trityloxyhex-4-en-2-ol (PubChem CID 134940422) has the molecular formula C37H52O2Sn and a molecular weight of 647.53 g/mol. Its IUPAC name is (Z,2S)-6-tributylstannyl-1-trityloxyhex-4-en-2-ol.

Molecular Properties

Compound Name(Z,2S)-6-tributylstannyl-1-trityloxyhex-4-en-2-ol
PubChem CID134940422
Molecular FormulaC37H52O2Sn
Molecular Weight647.53 g/mol
Exact Mass648.30
IUPAC Name(Z,2S)-6-tributylstannyl-1-trityloxyhex-4-en-2-ol
SMILESCCCC[Sn](C/C=C\C[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1)(CCCC)CCCC
InChIInChI=1S/C25H25O2.3C4H9.Sn/c1-2-3-19-24(26)20-27-25(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23;3*1-3-4-2;/h2-18,24,26H,1,19-20H2;3*1,3-4H2,2H3;/b3-2-;;;;/t24-;;;;/m0..../s1
InChIKeyZACMXYQZPCFCAJ-VWXMKOEGSA-N
XLogP10.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.53
LogP ≤ 510.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
CID 14260773
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CID 15104977
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Frequently Asked Questions

What is the IUPAC name of (Z,2S)-6-tributylstannyl-1-trityloxyhex-4-en-2-ol?
The IUPAC name of (Z,2S)-6-tributylstannyl-1-trityloxyhex-4-en-2-ol (CID 134940422) is (Z,2S)-6-tributylstannyl-1-trityloxyhex-4-en-2-ol.
What is the SMILES notation for (Z,2S)-6-tributylstannyl-1-trityloxyhex-4-en-2-ol?
The canonical SMILES for (Z,2S)-6-tributylstannyl-1-trityloxyhex-4-en-2-ol is CCCC[Sn](C/C=C\C[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1)(CCCC)CCCC.
What is the InChIKey of (Z,2S)-6-tributylstannyl-1-trityloxyhex-4-en-2-ol?
The InChIKey is ZACMXYQZPCFCAJ-VWXMKOEGSA-N. The full InChI is InChI=1S/C25H25O2.3C4H9.Sn/c1-2-3-19-24(26)20-27-25(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23;3*1-3-4-2;/h2-18,24,26H,1,19-20H2;3*1,3-4H2,2H3;/b3-2-;;;;/t24-;;;;/m0..../s1.
What are the key properties of (Z,2S)-6-tributylstannyl-1-trityloxyhex-4-en-2-ol?
(Z,2S)-6-tributylstannyl-1-trityloxyhex-4-en-2-ol has a molecular weight of 647.53 g/mol, XLogP of 10.15, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-6-tributylstannyl-1-trityloxyhex-4-en-2-ol is sourced from PubChem (CID 134940422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).