tert-butyl 2-[(4R,6S)-6-[(E)-2-[chloro(dimethyl)silyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

C16H29ClO4Si — CID 135007967

IUPACtert-butyl 2-[(4R,6S)-6-[(E)-2-[chloro(dimethyl)silyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@H]1C[C@@H](/C=C/[Si](C)(C)Cl)OC(C)(C)O1
InChIInChI=1S/C16H29ClO4Si/c1-15(2,3)21-14(18)11-13-10-12(8-9-22(6,7)17)19-16(4,5)20-13/h8-9,12-13H,10-11H2,1-7H3/b9-8+/t12-,13-/m1/s1
InChIKeyLRRMNRPGEKIWLO-RYYBZQDPSA-N
MW348.94 g/mol
LogP4.17
Rot. Bonds4

About tert-butyl 2-[(4R,6S)-6-[(E)-2-[chloro(dimethyl)silyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

tert-butyl 2-[(4R,6S)-6-[(E)-2-[chloro(dimethyl)silyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate (PubChem CID 135007967) has the molecular formula C16H29ClO4Si and a molecular weight of 348.94 g/mol. Its IUPAC name is tert-butyl 2-[(4R,6S)-6-[(E)-2-[chloro(dimethyl)silyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4R,6S)-6-[(E)-2-[chloro(dimethyl)silyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
PubChem CID135007967
Molecular FormulaC16H29ClO4Si
Molecular Weight348.94 g/mol
Exact Mass348.15
IUPAC Nametert-butyl 2-[(4R,6S)-6-[(E)-2-[chloro(dimethyl)silyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@H]1C[C@@H](/C=C/[Si](C)(C)Cl)OC(C)(C)O1
InChIInChI=1S/C16H29ClO4Si/c1-15(2,3)21-14(18)11-13-10-12(8-9-22(6,7)17)19-16(4,5)20-13/h8-9,12-13H,10-11H2,1-7H3/b9-8+/t12-,13-/m1/s1
InChIKeyLRRMNRPGEKIWLO-RYYBZQDPSA-N
XLogP4.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.94
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[(4R,6S)-6-[(E)-2-[chloro(dimethyl)silyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate 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

tert-butyl 2-[6-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 11394928
tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(E)-2-tributylstannylethenyl]-1,3-dioxan-4-yl]acetate
CID 11734269
6-Ethenyl-2,2-dimethyl-1,3-dioxane-4-acetic acid, ethyl ester
CID 14402913
ethyl 2-((4S,6R)-2,2-dimethyl-6-vinyl-1,3-dioxan-4-yl)acetate
CID 14402914
tert-butyl 2-[2,2-dimethyl-6-[(E)-2-tributylstannylethenyl]-1,3-dioxan-4-yl]acetate
CID 19759840
ethyl 2-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 45098029
tert-butyl 2-[(4R,6S)-6-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 59987075
tert-butyl 2-((4R,6S)-2,2-dimethyl-6-vinyl-1,3-dioxan-4-yl)acetate
CID 67371871
Tert-butyl 2-[2,2-dimethyl-6-(2-tributylstannylethenyl)-1,3-dioxan-4-yl]acetate
CID 67856965
tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-(2-tributylstannylethenyl)-1,3-dioxan-4-yl]acetate
CID 67856966
Tert-butyl 2-[6-(2-iodoethenyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 72830276
6-Ethenyl-2,2-dimethyl-1,3-dioxane-4-acetic acid, methyl ester
CID 73102692

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4R,6S)-6-[(E)-2-[chloro(dimethyl)silyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The IUPAC name of tert-butyl 2-[(4R,6S)-6-[(E)-2-[chloro(dimethyl)silyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CID 135007967) is tert-butyl 2-[(4R,6S)-6-[(E)-2-[chloro(dimethyl)silyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(4R,6S)-6-[(E)-2-[chloro(dimethyl)silyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[(4R,6S)-6-[(E)-2-[chloro(dimethyl)silyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate is CC(C)(C)OC(=O)C[C@H]1C[C@@H](/C=C/[Si](C)(C)Cl)OC(C)(C)O1.
What is the InChIKey of tert-butyl 2-[(4R,6S)-6-[(E)-2-[chloro(dimethyl)silyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The InChIKey is LRRMNRPGEKIWLO-RYYBZQDPSA-N. The full InChI is InChI=1S/C16H29ClO4Si/c1-15(2,3)21-14(18)11-13-10-12(8-9-22(6,7)17)19-16(4,5)20-13/h8-9,12-13H,10-11H2,1-7H3/b9-8+/t12-,13-/m1/s1.
What are the key properties of tert-butyl 2-[(4R,6S)-6-[(E)-2-[chloro(dimethyl)silyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
tert-butyl 2-[(4R,6S)-6-[(E)-2-[chloro(dimethyl)silyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate has a molecular weight of 348.94 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4R,6S)-6-[(E)-2-[chloro(dimethyl)silyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 135007967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).