tert-butyl N-[(3aS,4R,5R,6R,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate

C25H51NO6Si2 — CID 10792022

IUPACtert-butyl N-[(3aS,4R,5R,6R,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C25H51NO6Si2/c1-22(2,3)30-21(27)26-16-17-19(29-25(10,11)28-17)20(32-34(14,15)24(7,8)9)18(16)31-33(12,13)23(4,5)6/h16-20H,1-15H3,(H,26,27)/t16-,17+,18-,19+,20+/m1/s1
InChIKeyZJKIXATXVLBXCZ-RMMWZPCPSA-N
MW517.86 g/mol
LogP6.19
Rot. Bonds5

About tert-butyl N-[(3aS,4R,5R,6R,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate

tert-butyl N-[(3aS,4R,5R,6R,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate (PubChem CID 10792022) has the molecular formula C25H51NO6Si2 and a molecular weight of 517.86 g/mol. Its IUPAC name is tert-butyl N-[(3aS,4R,5R,6R,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3aS,4R,5R,6R,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate
PubChem CID10792022
Molecular FormulaC25H51NO6Si2
Molecular Weight517.86 g/mol
Exact Mass517.33
IUPAC Nametert-butyl N-[(3aS,4R,5R,6R,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C25H51NO6Si2/c1-22(2,3)30-21(27)26-16-17-19(29-25(10,11)28-17)20(32-34(14,15)24(7,8)9)18(16)31-33(12,13)23(4,5)6/h16-20H,1-15H3,(H,26,27)/t16-,17+,18-,19+,20+/m1/s1
InChIKeyZJKIXATXVLBXCZ-RMMWZPCPSA-N
XLogP6.19
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.86
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(3aS,4R,5R,6R,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3aS,4R,5R,6R,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate?
The IUPAC name of tert-butyl N-[(3aS,4R,5R,6R,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate (CID 10792022) is tert-butyl N-[(3aS,4R,5R,6R,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3aS,4R,5R,6R,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3aS,4R,5R,6R,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of tert-butyl N-[(3aS,4R,5R,6R,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate?
The InChIKey is ZJKIXATXVLBXCZ-RMMWZPCPSA-N. The full InChI is InChI=1S/C25H51NO6Si2/c1-22(2,3)30-21(27)26-16-17-19(29-25(10,11)28-17)20(32-34(14,15)24(7,8)9)18(16)31-33(12,13)23(4,5)6/h16-20H,1-15H3,(H,26,27)/t16-,17+,18-,19+,20+/m1/s1.
What are the key properties of tert-butyl N-[(3aS,4R,5R,6R,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate?
tert-butyl N-[(3aS,4R,5R,6R,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate has a molecular weight of 517.86 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3aS,4R,5R,6R,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate is sourced from PubChem (CID 10792022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).