2-[(2S,3R,4Z)-4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methylidene]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxolan-3-yl]-2-oxoacetaldehyde

C24H32O7Si — CID 132600338

IUPAC2-[(2S,3R,4Z)-4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methylidene]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxolan-3-yl]-2-oxoacetaldehyde
SMILESCC1(C)OC[C@H]([C@H]2OC(=O)/C(=C\c3ccc(O[Si](C)(C)C(C)(C)C)cc3)[C@H]2C(=O)C=O)O1
InChIInChI=1S/C24H32O7Si/c1-23(2,3)32(6,7)31-16-10-8-15(9-11-16)12-17-20(18(26)13-25)21(29-22(17)27)19-14-28-24(4,5)30-19/h8-13,19-21H,14H2,1-7H3/b17-12-/t19-,20+,21-/m1/s1
InChIKeySOPQWURPJFOUAK-SIMMVHBGSA-N
MW460.60 g/mol
LogP3.92
Rot. Bonds6

About 2-[(2S,3R,4Z)-4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methylidene]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxolan-3-yl]-2-oxoacetaldehyde

2-[(2S,3R,4Z)-4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methylidene]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxolan-3-yl]-2-oxoacetaldehyde (PubChem CID 132600338) has the molecular formula C24H32O7Si and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-[(2S,3R,4Z)-4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methylidene]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxolan-3-yl]-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-[(2S,3R,4Z)-4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methylidene]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxolan-3-yl]-2-oxoacetaldehyde
PubChem CID132600338
Molecular FormulaC24H32O7Si
Molecular Weight460.60 g/mol
Exact Mass460.19
IUPAC Name2-[(2S,3R,4Z)-4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methylidene]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxolan-3-yl]-2-oxoacetaldehyde
SMILESCC1(C)OC[C@H]([C@H]2OC(=O)/C(=C\c3ccc(O[Si](C)(C)C(C)(C)C)cc3)[C@H]2C(=O)C=O)O1
InChIInChI=1S/C24H32O7Si/c1-23(2,3)32(6,7)31-16-10-8-15(9-11-16)12-17-20(18(26)13-25)21(29-22(17)27)19-14-28-24(4,5)30-19/h8-13,19-21H,14H2,1-7H3/b17-12-/t19-,20+,21-/m1/s1
InChIKeySOPQWURPJFOUAK-SIMMVHBGSA-N
XLogP3.92
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(2S,3R,4Z)-4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methylidene]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxolan-3-yl]-2-oxoacetaldehyde 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 2-[(2S,3R,4Z)-4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methylidene]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxolan-3-yl]-2-oxoacetaldehyde?
The IUPAC name of 2-[(2S,3R,4Z)-4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methylidene]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxolan-3-yl]-2-oxoacetaldehyde (CID 132600338) is 2-[(2S,3R,4Z)-4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methylidene]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxolan-3-yl]-2-oxoacetaldehyde.
What is the SMILES notation for 2-[(2S,3R,4Z)-4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methylidene]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxolan-3-yl]-2-oxoacetaldehyde?
The canonical SMILES for 2-[(2S,3R,4Z)-4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methylidene]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxolan-3-yl]-2-oxoacetaldehyde is CC1(C)OC[C@H]([C@H]2OC(=O)/C(=C\c3ccc(O[Si](C)(C)C(C)(C)C)cc3)[C@H]2C(=O)C=O)O1.
What is the InChIKey of 2-[(2S,3R,4Z)-4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methylidene]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxolan-3-yl]-2-oxoacetaldehyde?
The InChIKey is SOPQWURPJFOUAK-SIMMVHBGSA-N. The full InChI is InChI=1S/C24H32O7Si/c1-23(2,3)32(6,7)31-16-10-8-15(9-11-16)12-17-20(18(26)13-25)21(29-22(17)27)19-14-28-24(4,5)30-19/h8-13,19-21H,14H2,1-7H3/b17-12-/t19-,20+,21-/m1/s1.
What are the key properties of 2-[(2S,3R,4Z)-4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methylidene]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxolan-3-yl]-2-oxoacetaldehyde?
2-[(2S,3R,4Z)-4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methylidene]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxolan-3-yl]-2-oxoacetaldehyde has a molecular weight of 460.60 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4Z)-4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methylidene]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxolan-3-yl]-2-oxoacetaldehyde is sourced from PubChem (CID 132600338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).