methyl (E,5S)-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-enoate

C29H60O3SiSn — CID 175955553

IUPACmethyl (E,5S)-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-enoate
SMILESCCCC[Sn](/C=C/[C@H](CCCC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C)(CCCC)CCCC
InChIInChI=1S/C17H33O3Si.3C4H9.Sn/c1-9-16(11-10-12-17(18)19-8)20-21(13(2)3,14(4)5)15(6)7;3*1-3-4-2;/h1,9,13-16H,10-12H2,2-8H3;3*1,3-4H2,2H3;/t16-;;;;/m1..../s1
InChIKeySPGJDWBGXDXEMG-XIYRCBLHSA-N
MW603.59 g/mol
LogP9.83
Rot. Bonds20

About methyl (E,5S)-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-enoate

methyl (E,5S)-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-enoate (PubChem CID 175955553) has the molecular formula C29H60O3SiSn and a molecular weight of 603.59 g/mol. Its IUPAC name is methyl (E,5S)-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-enoate.

Molecular Properties

Compound Namemethyl (E,5S)-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-enoate
PubChem CID175955553
Molecular FormulaC29H60O3SiSn
Molecular Weight603.59 g/mol
Exact Mass604.33
IUPAC Namemethyl (E,5S)-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-enoate
SMILESCCCC[Sn](/C=C/[C@H](CCCC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C)(CCCC)CCCC
InChIInChI=1S/C17H33O3Si.3C4H9.Sn/c1-9-16(11-10-12-17(18)19-8)20-21(13(2)3,14(4)5)15(6)7;3*1-3-4-2;/h1,9,13-16H,10-12H2,2-8H3;3*1,3-4H2,2H3;/t16-;;;;/m1..../s1
InChIKeySPGJDWBGXDXEMG-XIYRCBLHSA-N
XLogP9.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.59
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (E,5S)-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-enoate?
The IUPAC name of methyl (E,5S)-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-enoate (CID 175955553) is methyl (E,5S)-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-enoate.
What is the SMILES notation for methyl (E,5S)-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-enoate?
The canonical SMILES for methyl (E,5S)-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-enoate is CCCC[Sn](/C=C/[C@H](CCCC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C)(CCCC)CCCC.
What is the InChIKey of methyl (E,5S)-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-enoate?
The InChIKey is SPGJDWBGXDXEMG-XIYRCBLHSA-N. The full InChI is InChI=1S/C17H33O3Si.3C4H9.Sn/c1-9-16(11-10-12-17(18)19-8)20-21(13(2)3,14(4)5)15(6)7;3*1-3-4-2;/h1,9,13-16H,10-12H2,2-8H3;3*1,3-4H2,2H3;/t16-;;;;/m1..../s1.
What are the key properties of methyl (E,5S)-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-enoate?
methyl (E,5S)-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-enoate has a molecular weight of 603.59 g/mol, XLogP of 9.83, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,5S)-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-enoate is sourced from PubChem (CID 175955553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).