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

C16H31NO6Si — CID 91496431

IUPACmethyl N-[(3aR,5S,6S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate
SMILESCOC(=O)N[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NO6Si/c1-15(2,3)24(7,8)20-9-10-11(17-14(18)19-6)12-13(21-10)23-16(4,5)22-12/h10-13H,9H2,1-8H3,(H,17,18)/t10-,11+,12-,13-/m1/s1
InChIKeyXACBAIFNJJWRDK-YVECIDJPSA-N
MW361.51 g/mol
LogP2.61
Rot. Bonds4

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

methyl N-[(3aR,5S,6S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate (PubChem CID 91496431) has the molecular formula C16H31NO6Si and a molecular weight of 361.51 g/mol. Its IUPAC name is methyl N-[(3aR,5S,6S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3aR,5S,6S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate
PubChem CID91496431
Molecular FormulaC16H31NO6Si
Molecular Weight361.51 g/mol
Exact Mass361.19
IUPAC Namemethyl N-[(3aR,5S,6S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate
SMILESCOC(=O)N[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NO6Si/c1-15(2,3)24(7,8)20-9-10-11(17-14(18)19-6)12-13(21-10)23-16(4,5)22-12/h10-13H,9H2,1-8H3,(H,17,18)/t10-,11+,12-,13-/m1/s1
InChIKeyXACBAIFNJJWRDK-YVECIDJPSA-N
XLogP2.61
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(3aR,5S,6S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate?
The IUPAC name of methyl N-[(3aR,5S,6S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate (CID 91496431) is methyl N-[(3aR,5S,6S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate.
What is the SMILES notation for methyl N-[(3aR,5S,6S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate?
The canonical SMILES for methyl N-[(3aR,5S,6S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate is COC(=O)N[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl N-[(3aR,5S,6S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate?
The InChIKey is XACBAIFNJJWRDK-YVECIDJPSA-N. The full InChI is InChI=1S/C16H31NO6Si/c1-15(2,3)24(7,8)20-9-10-11(17-14(18)19-6)12-13(21-10)23-16(4,5)22-12/h10-13H,9H2,1-8H3,(H,17,18)/t10-,11+,12-,13-/m1/s1.
What are the key properties of methyl N-[(3aR,5S,6S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate?
methyl N-[(3aR,5S,6S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate has a molecular weight of 361.51 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3aR,5S,6S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate is sourced from PubChem (CID 91496431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).