[(Z)-[(5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-ylidene]-methylsulfanylmethoxy]-trimethylsilane

C18H28O4SSi — CID 10872306

IUPAC[(Z)-[(5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-ylidene]-methylsulfanylmethoxy]-trimethylsilane
SMILESCS/C(O[Si](C)(C)C)=C1\OC(C)(C)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C18H28O4SSi/c1-18(2)20-15(13-19-12-14-10-8-7-9-11-14)16(21-18)17(23-3)22-24(4,5)6/h7-11,15H,12-13H2,1-6H3/b17-16-/t15-/m1/s1
InChIKeyHGZZXNIVAZBSPN-KSPIOAOGSA-N
MW368.57 g/mol
LogP4.74
Rot. Bonds7

About [(Z)-[(5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-ylidene]-methylsulfanylmethoxy]-trimethylsilane

[(Z)-[(5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-ylidene]-methylsulfanylmethoxy]-trimethylsilane (PubChem CID 10872306) has the molecular formula C18H28O4SSi and a molecular weight of 368.57 g/mol. Its IUPAC name is [(Z)-[(5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-ylidene]-methylsulfanylmethoxy]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-[(5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-ylidene]-methylsulfanylmethoxy]-trimethylsilane
PubChem CID10872306
Molecular FormulaC18H28O4SSi
Molecular Weight368.57 g/mol
Exact Mass368.15
IUPAC Name[(Z)-[(5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-ylidene]-methylsulfanylmethoxy]-trimethylsilane
SMILESCS/C(O[Si](C)(C)C)=C1\OC(C)(C)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C18H28O4SSi/c1-18(2)20-15(13-19-12-14-10-8-7-9-11-14)16(21-18)17(23-3)22-24(4,5)6/h7-11,15H,12-13H2,1-6H3/b17-16-/t15-/m1/s1
InChIKeyHGZZXNIVAZBSPN-KSPIOAOGSA-N
XLogP4.74
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[(5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-ylidene]-methylsulfanylmethoxy]-trimethylsilane?
The IUPAC name of [(Z)-[(5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-ylidene]-methylsulfanylmethoxy]-trimethylsilane (CID 10872306) is [(Z)-[(5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-ylidene]-methylsulfanylmethoxy]-trimethylsilane.
What is the SMILES notation for [(Z)-[(5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-ylidene]-methylsulfanylmethoxy]-trimethylsilane?
The canonical SMILES for [(Z)-[(5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-ylidene]-methylsulfanylmethoxy]-trimethylsilane is CS/C(O[Si](C)(C)C)=C1\OC(C)(C)O[C@@H]1COCc1ccccc1.
What is the InChIKey of [(Z)-[(5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-ylidene]-methylsulfanylmethoxy]-trimethylsilane?
The InChIKey is HGZZXNIVAZBSPN-KSPIOAOGSA-N. The full InChI is InChI=1S/C18H28O4SSi/c1-18(2)20-15(13-19-12-14-10-8-7-9-11-14)16(21-18)17(23-3)22-24(4,5)6/h7-11,15H,12-13H2,1-6H3/b17-16-/t15-/m1/s1.
What are the key properties of [(Z)-[(5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-ylidene]-methylsulfanylmethoxy]-trimethylsilane?
[(Z)-[(5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-ylidene]-methylsulfanylmethoxy]-trimethylsilane has a molecular weight of 368.57 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-ylidene]-methylsulfanylmethoxy]-trimethylsilane is sourced from PubChem (CID 10872306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).