N-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide

C16H31NO5Si — CID 10831388

IUPACN-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide
SMILESCC(=O)NC1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NO5Si/c1-10(18)17-12-11(9-19-23(7,8)15(2,3)4)20-14-13(12)21-16(5,6)22-14/h11-14H,9H2,1-8H3,(H,17,18)/t11-,12?,13-,14-/m1/s1
InChIKeyXGIIJQSFHKNIAV-ZXCYLUJYSA-N
MW345.51 g/mol
LogP2.39
Rot. Bonds4

About N-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide

N-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide (PubChem CID 10831388) has the molecular formula C16H31NO5Si and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide.

Molecular Properties

Compound NameN-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide
PubChem CID10831388
Molecular FormulaC16H31NO5Si
Molecular Weight345.51 g/mol
Exact Mass345.20
IUPAC NameN-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide
SMILESCC(=O)NC1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NO5Si/c1-10(18)17-12-11(9-19-23(7,8)15(2,3)4)20-14-13(12)21-16(5,6)22-14/h11-14H,9H2,1-8H3,(H,17,18)/t11-,12?,13-,14-/m1/s1
InChIKeyXGIIJQSFHKNIAV-ZXCYLUJYSA-N
XLogP2.39
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 52.39
H-Bond Donors ≤ 51
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 N-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide?
The IUPAC name of N-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide (CID 10831388) is N-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide.
What is the SMILES notation for N-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide?
The canonical SMILES for N-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide is CC(=O)NC1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide?
The InChIKey is XGIIJQSFHKNIAV-ZXCYLUJYSA-N. The full InChI is InChI=1S/C16H31NO5Si/c1-10(18)17-12-11(9-19-23(7,8)15(2,3)4)20-14-13(12)21-16(5,6)22-14/h11-14H,9H2,1-8H3,(H,17,18)/t11-,12?,13-,14-/m1/s1.
What are the key properties of N-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide?
N-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide has a molecular weight of 345.51 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetamide is sourced from PubChem (CID 10831388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).