propan-2-yl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-tri(propan-2-yl)silyloxyacetate

C19H38O5Si — CID 175607366

IUPACpropan-2-yl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-tri(propan-2-yl)silyloxyacetate
SMILESCC(C)OC(=O)C(O[Si](C(C)C)(C(C)C)C(C)C)C1COC(C)(C)O1
InChIInChI=1S/C19H38O5Si/c1-12(2)22-18(20)17(16-11-21-19(9,10)23-16)24-25(13(3)4,14(5)6)15(7)8/h12-17H,11H2,1-10H3
InChIKeyAUTNFHXAPLXDEQ-UHFFFAOYSA-N
MW374.59 g/mol
LogP4.65
Rot. Bonds8

About propan-2-yl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-tri(propan-2-yl)silyloxyacetate

propan-2-yl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-tri(propan-2-yl)silyloxyacetate (PubChem CID 175607366) has the molecular formula C19H38O5Si and a molecular weight of 374.59 g/mol. Its IUPAC name is propan-2-yl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-tri(propan-2-yl)silyloxyacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-tri(propan-2-yl)silyloxyacetate
PubChem CID175607366
Molecular FormulaC19H38O5Si
Molecular Weight374.59 g/mol
Exact Mass374.25
IUPAC Namepropan-2-yl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-tri(propan-2-yl)silyloxyacetate
SMILESCC(C)OC(=O)C(O[Si](C(C)C)(C(C)C)C(C)C)C1COC(C)(C)O1
InChIInChI=1S/C19H38O5Si/c1-12(2)22-18(20)17(16-11-21-19(9,10)23-16)24-25(13(3)4,14(5)6)15(7)8/h12-17H,11H2,1-10H3
InChIKeyAUTNFHXAPLXDEQ-UHFFFAOYSA-N
XLogP4.65
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-tri(propan-2-yl)silyloxyacetate?
The IUPAC name of propan-2-yl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-tri(propan-2-yl)silyloxyacetate (CID 175607366) is propan-2-yl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-tri(propan-2-yl)silyloxyacetate.
What is the SMILES notation for propan-2-yl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-tri(propan-2-yl)silyloxyacetate?
The canonical SMILES for propan-2-yl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-tri(propan-2-yl)silyloxyacetate is CC(C)OC(=O)C(O[Si](C(C)C)(C(C)C)C(C)C)C1COC(C)(C)O1.
What is the InChIKey of propan-2-yl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-tri(propan-2-yl)silyloxyacetate?
The InChIKey is AUTNFHXAPLXDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O5Si/c1-12(2)22-18(20)17(16-11-21-19(9,10)23-16)24-25(13(3)4,14(5)6)15(7)8/h12-17H,11H2,1-10H3.
What are the key properties of propan-2-yl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-tri(propan-2-yl)silyloxyacetate?
propan-2-yl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-tri(propan-2-yl)silyloxyacetate has a molecular weight of 374.59 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-tri(propan-2-yl)silyloxyacetate is sourced from PubChem (CID 175607366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).