diethyl-[(1S,2E,4S,5Z)-1-[(4R,5S)-4-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2,4-dimethylhepta-2,5-dienoxy]-propan-2-ylsilane

C26H49IO3Si — CID 11410449

IUPACdiethyl-[(1S,2E,4S,5Z)-1-[(4R,5S)-4-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2,4-dimethylhepta-2,5-dienoxy]-propan-2-ylsilane
SMILESC/C=C\[C@H](C)/C=C(\C)[C@@H](O[Si](CC)(CC)C(C)C)[C@H]1COC(C)(C)O[C@@H]1[C@H](C)CCI
InChIInChI=1S/C26H49IO3Si/c1-11-14-20(6)17-22(8)25(30-31(12-2,13-3)19(4)5)23-18-28-26(9,10)29-24(23)21(7)15-16-27/h11,14,17,19-21,23-25H,12-13,15-16,18H2,1-10H3/b14-11-,22-17+/t20-,21+,23-,24+,25+/m0/s1
InChIKeyBCLIQIHSEYWLOM-UJKBBROKSA-N
MW564.67 g/mol
LogP8.15
Rot. Bonds12

About diethyl-[(1S,2E,4S,5Z)-1-[(4R,5S)-4-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2,4-dimethylhepta-2,5-dienoxy]-propan-2-ylsilane

diethyl-[(1S,2E,4S,5Z)-1-[(4R,5S)-4-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2,4-dimethylhepta-2,5-dienoxy]-propan-2-ylsilane (PubChem CID 11410449) has the molecular formula C26H49IO3Si and a molecular weight of 564.67 g/mol. Its IUPAC name is diethyl-[(1S,2E,4S,5Z)-1-[(4R,5S)-4-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2,4-dimethylhepta-2,5-dienoxy]-propan-2-ylsilane.

Molecular Properties

Compound Namediethyl-[(1S,2E,4S,5Z)-1-[(4R,5S)-4-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2,4-dimethylhepta-2,5-dienoxy]-propan-2-ylsilane
PubChem CID11410449
Molecular FormulaC26H49IO3Si
Molecular Weight564.67 g/mol
Exact Mass564.25
IUPAC Namediethyl-[(1S,2E,4S,5Z)-1-[(4R,5S)-4-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2,4-dimethylhepta-2,5-dienoxy]-propan-2-ylsilane
SMILESC/C=C\[C@H](C)/C=C(\C)[C@@H](O[Si](CC)(CC)C(C)C)[C@H]1COC(C)(C)O[C@@H]1[C@H](C)CCI
InChIInChI=1S/C26H49IO3Si/c1-11-14-20(6)17-22(8)25(30-31(12-2,13-3)19(4)5)23-18-28-26(9,10)29-24(23)21(7)15-16-27/h11,14,17,19-21,23-25H,12-13,15-16,18H2,1-10H3/b14-11-,22-17+/t20-,21+,23-,24+,25+/m0/s1
InChIKeyBCLIQIHSEYWLOM-UJKBBROKSA-N
XLogP8.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.67
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze diethyl-[(1S,2E,4S,5Z)-1-[(4R,5S)-4-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2,4-dimethylhepta-2,5-dienoxy]-propan-2-ylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl-[(1S,2E,4S,5Z)-1-[(4R,5S)-4-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2,4-dimethylhepta-2,5-dienoxy]-propan-2-ylsilane?
The IUPAC name of diethyl-[(1S,2E,4S,5Z)-1-[(4R,5S)-4-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2,4-dimethylhepta-2,5-dienoxy]-propan-2-ylsilane (CID 11410449) is diethyl-[(1S,2E,4S,5Z)-1-[(4R,5S)-4-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2,4-dimethylhepta-2,5-dienoxy]-propan-2-ylsilane.
What is the SMILES notation for diethyl-[(1S,2E,4S,5Z)-1-[(4R,5S)-4-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2,4-dimethylhepta-2,5-dienoxy]-propan-2-ylsilane?
The canonical SMILES for diethyl-[(1S,2E,4S,5Z)-1-[(4R,5S)-4-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2,4-dimethylhepta-2,5-dienoxy]-propan-2-ylsilane is C/C=C\[C@H](C)/C=C(\C)[C@@H](O[Si](CC)(CC)C(C)C)[C@H]1COC(C)(C)O[C@@H]1[C@H](C)CCI.
What is the InChIKey of diethyl-[(1S,2E,4S,5Z)-1-[(4R,5S)-4-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2,4-dimethylhepta-2,5-dienoxy]-propan-2-ylsilane?
The InChIKey is BCLIQIHSEYWLOM-UJKBBROKSA-N. The full InChI is InChI=1S/C26H49IO3Si/c1-11-14-20(6)17-22(8)25(30-31(12-2,13-3)19(4)5)23-18-28-26(9,10)29-24(23)21(7)15-16-27/h11,14,17,19-21,23-25H,12-13,15-16,18H2,1-10H3/b14-11-,22-17+/t20-,21+,23-,24+,25+/m0/s1.
What are the key properties of diethyl-[(1S,2E,4S,5Z)-1-[(4R,5S)-4-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2,4-dimethylhepta-2,5-dienoxy]-propan-2-ylsilane?
diethyl-[(1S,2E,4S,5Z)-1-[(4R,5S)-4-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2,4-dimethylhepta-2,5-dienoxy]-propan-2-ylsilane has a molecular weight of 564.67 g/mol, XLogP of 8.15, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(1S,2E,4S,5Z)-1-[(4R,5S)-4-[(2R)-4-iodobutan-2-yl]-2,2-dimethyl-1,3-dioxan-5-yl]-2,4-dimethylhepta-2,5-dienoxy]-propan-2-ylsilane is sourced from PubChem (CID 11410449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).