methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate

C25H52O3SiSn — CID 56964829

IUPACmethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate
SMILESCCCC[Sn](/C=C/[C@H](CCC(=O)OC)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C13H25O3Si.3C4H9.Sn/c1-8-11(9-10-12(14)15-5)16-17(6,7)13(2,3)4;3*1-3-4-2;/h1,8,11H,9-10H2,2-7H3;3*1,3-4H2,2H3;/t11-;;;;/m1..../s1
InChIKeyVEMXHLIKTIYXKL-LOSFGHDGSA-N
MW547.49 g/mol
LogP8.27
Rot. Bonds16

About methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate

methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate (PubChem CID 56964829) has the molecular formula C25H52O3SiSn and a molecular weight of 547.49 g/mol. Its IUPAC name is methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate.

Molecular Properties

Compound Namemethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate
PubChem CID56964829
Molecular FormulaC25H52O3SiSn
Molecular Weight547.49 g/mol
Exact Mass548.27
IUPAC Namemethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate
SMILESCCCC[Sn](/C=C/[C@H](CCC(=O)OC)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C13H25O3Si.3C4H9.Sn/c1-8-11(9-10-12(14)15-5)16-17(6,7)13(2,3)4;3*1-3-4-2;/h1,8,11H,9-10H2,2-7H3;3*1,3-4H2,2H3;/t11-;;;;/m1..../s1
InChIKeyVEMXHLIKTIYXKL-LOSFGHDGSA-N
XLogP8.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.49
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate
CID 154722300
(4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 72708009
methyl (E,4S)-6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 59372907
Methyl 6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 72273544
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate
CID 76451001
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate
CID 87513690
methyl (E)-6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 87513962
methyl (E,4R)-6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 89058032
methyl (4S)-6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 90776555
methyl (E,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate
CID 140552613
methyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate
CID 11353111
[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-4-yl] hex-5-enoate
CID 16085096

Frequently Asked Questions

What is the IUPAC name of methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate?
The IUPAC name of methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate (CID 56964829) is methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate.
What is the SMILES notation for methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate?
The canonical SMILES for methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate is CCCC[Sn](/C=C/[C@H](CCC(=O)OC)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate?
The InChIKey is VEMXHLIKTIYXKL-LOSFGHDGSA-N. The full InChI is InChI=1S/C13H25O3Si.3C4H9.Sn/c1-8-11(9-10-12(14)15-5)16-17(6,7)13(2,3)4;3*1-3-4-2;/h1,8,11H,9-10H2,2-7H3;3*1,3-4H2,2H3;/t11-;;;;/m1..../s1.
What are the key properties of methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate?
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate has a molecular weight of 547.49 g/mol, XLogP of 8.27, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate is sourced from PubChem (CID 56964829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).