propan-2-yl (4S,5E)-2,2-dimethyl-5-[propan-2-yloxy(trimethylsilyloxy)methylidene]-1,3-dioxolane-4-carboxylate

C16H30O6Si — CID 10641341

IUPACpropan-2-yl (4S,5E)-2,2-dimethyl-5-[propan-2-yloxy(trimethylsilyloxy)methylidene]-1,3-dioxolane-4-carboxylate
SMILESCC(C)OC(=O)[C@H]1OC(C)(C)O/C1=C(\OC(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H30O6Si/c1-10(2)18-14(17)12-13(21-16(5,6)20-12)15(19-11(3)4)22-23(7,8)9/h10-12H,1-9H3/b15-13+/t12-/m0/s1
InChIKeyNPLRSDZPVCZEKE-PRSJPOKTSA-N
MW346.50 g/mol
LogP3.54
Rot. Bonds6

About propan-2-yl (4S,5E)-2,2-dimethyl-5-[propan-2-yloxy(trimethylsilyloxy)methylidene]-1,3-dioxolane-4-carboxylate

propan-2-yl (4S,5E)-2,2-dimethyl-5-[propan-2-yloxy(trimethylsilyloxy)methylidene]-1,3-dioxolane-4-carboxylate (PubChem CID 10641341) has the molecular formula C16H30O6Si and a molecular weight of 346.50 g/mol. Its IUPAC name is propan-2-yl (4S,5E)-2,2-dimethyl-5-[propan-2-yloxy(trimethylsilyloxy)methylidene]-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (4S,5E)-2,2-dimethyl-5-[propan-2-yloxy(trimethylsilyloxy)methylidene]-1,3-dioxolane-4-carboxylate
PubChem CID10641341
Molecular FormulaC16H30O6Si
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Namepropan-2-yl (4S,5E)-2,2-dimethyl-5-[propan-2-yloxy(trimethylsilyloxy)methylidene]-1,3-dioxolane-4-carboxylate
SMILESCC(C)OC(=O)[C@H]1OC(C)(C)O/C1=C(\OC(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H30O6Si/c1-10(2)18-14(17)12-13(21-16(5,6)20-12)15(19-11(3)4)22-23(7,8)9/h10-12H,1-9H3/b15-13+/t12-/m0/s1
InChIKeyNPLRSDZPVCZEKE-PRSJPOKTSA-N
XLogP3.54
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze propan-2-yl (4S,5E)-2,2-dimethyl-5-[propan-2-yloxy(trimethylsilyloxy)methylidene]-1,3-dioxolane-4-carboxylate 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 (2S,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate
CID 10905466
ethyl (4S)-2,2-dimethyl-5-(oxomethylidene)-1,3-dioxolane-4-carboxylate
CID 135038220
lithium (E)-methoxy-[(5R)-5-methoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-ylidene]methanolate
CID 155932139
(6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one
CID 67979540
methyl (4S,5E)-5-[methoxy(trimethylsilyloxy)methylidene]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10493728
methyl (2S,3E)-3-[methoxy(trimethylsilyloxy)methylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate
CID 10495645
tert-butyl (4S,5E)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate
CID 10667153
tert-butyl (2S,3E)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate
CID 11047666
tert-butyl (2R,3Z)-3-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,4-dioxaspiro[4.4]nonane-2-carboxylate
CID 11729085
tert-butyl (4S,5Z)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy-trimethylsilyloxymethylidene]-1,3-dioxolane-4-carboxylate
CID 100957769

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (4S,5E)-2,2-dimethyl-5-[propan-2-yloxy(trimethylsilyloxy)methylidene]-1,3-dioxolane-4-carboxylate?
The IUPAC name of propan-2-yl (4S,5E)-2,2-dimethyl-5-[propan-2-yloxy(trimethylsilyloxy)methylidene]-1,3-dioxolane-4-carboxylate (CID 10641341) is propan-2-yl (4S,5E)-2,2-dimethyl-5-[propan-2-yloxy(trimethylsilyloxy)methylidene]-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for propan-2-yl (4S,5E)-2,2-dimethyl-5-[propan-2-yloxy(trimethylsilyloxy)methylidene]-1,3-dioxolane-4-carboxylate?
The canonical SMILES for propan-2-yl (4S,5E)-2,2-dimethyl-5-[propan-2-yloxy(trimethylsilyloxy)methylidene]-1,3-dioxolane-4-carboxylate is CC(C)OC(=O)[C@H]1OC(C)(C)O/C1=C(\OC(C)C)O[Si](C)(C)C.
What is the InChIKey of propan-2-yl (4S,5E)-2,2-dimethyl-5-[propan-2-yloxy(trimethylsilyloxy)methylidene]-1,3-dioxolane-4-carboxylate?
The InChIKey is NPLRSDZPVCZEKE-PRSJPOKTSA-N. The full InChI is InChI=1S/C16H30O6Si/c1-10(2)18-14(17)12-13(21-16(5,6)20-12)15(19-11(3)4)22-23(7,8)9/h10-12H,1-9H3/b15-13+/t12-/m0/s1.
What are the key properties of propan-2-yl (4S,5E)-2,2-dimethyl-5-[propan-2-yloxy(trimethylsilyloxy)methylidene]-1,3-dioxolane-4-carboxylate?
propan-2-yl (4S,5E)-2,2-dimethyl-5-[propan-2-yloxy(trimethylsilyloxy)methylidene]-1,3-dioxolane-4-carboxylate has a molecular weight of 346.50 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (4S,5E)-2,2-dimethyl-5-[propan-2-yloxy(trimethylsilyloxy)methylidene]-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 10641341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).