[(1S)-1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethoxy]-tert-butyl-dimethylsilane

C21H35NO3Si — CID 101178044

IUPAC[(1S)-1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethoxy]-tert-butyl-dimethylsilane
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N[C@@H](c2ccccc2)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C21H35NO3Si/c1-14(25-26(7,8)20(2,3)4)16-18-19(24-21(5,6)23-18)17(22-16)15-12-10-9-11-13-15/h9-14,16-19,22H,1-8H3/t14-,16-,17-,18+,19-/m0/s1
InChIKeyNHDHTONACDLXFE-HZZCBIDNSA-N
MW377.60 g/mol
LogP4.63
Rot. Bonds4

About [(1S)-1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethoxy]-tert-butyl-dimethylsilane

[(1S)-1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethoxy]-tert-butyl-dimethylsilane (PubChem CID 101178044) has the molecular formula C21H35NO3Si and a molecular weight of 377.60 g/mol. Its IUPAC name is [(1S)-1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S)-1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethoxy]-tert-butyl-dimethylsilane
PubChem CID101178044
Molecular FormulaC21H35NO3Si
Molecular Weight377.60 g/mol
Exact Mass377.24
IUPAC Name[(1S)-1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethoxy]-tert-butyl-dimethylsilane
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N[C@@H](c2ccccc2)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C21H35NO3Si/c1-14(25-26(7,8)20(2,3)4)16-18-19(24-21(5,6)23-18)17(22-16)15-12-10-9-11-13-15/h9-14,16-19,22H,1-8H3/t14-,16-,17-,18+,19-/m0/s1
InChIKeyNHDHTONACDLXFE-HZZCBIDNSA-N
XLogP4.63
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.60
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[(3aS,4S,6R,6aS)-4-dodecoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N-[(4-fluorophenyl)methyl]ethanamine
CID 69729246
(4R,5S)-N-benzyl-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 11497779
(3aS,4R,6aR)-2,2-dimethyl-4-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole
CID 23635083
(3aR,4S,6aS)-2,2-dimethyl-4-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole
CID 101435587
(3aS,6R,6aS)-N-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-amine
CID 135029095
(1R)-1-[(4S,5R)-5-[(1R)-1-(benzylamino)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
CID 135029149
1-[(3aR,4R,6R,6aR)-4-dodecoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N-[(4-fluorophenyl)methyl]ethanamine
CID 11605398
(3aS,4S,6aR)-4-(4-fluorophenyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole
CID 71812749
4-[(3aS,4S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]aniline
CID 91987619
[(3aS,4S,6R,6aR)-4-(4-chlorophenyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-dimethylsilane
CID 102068659
[(3aS,4S,6R,6aR)-4-(4-fluorophenyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-dimethylsilane
CID 102068660
[(3aS,4S,6R,6aR)-4-(4-bromophenyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-dimethylsilane
CID 102068661

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1S)-1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethoxy]-tert-butyl-dimethylsilane (CID 101178044) is [(1S)-1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S)-1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S)-1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethoxy]-tert-butyl-dimethylsilane is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N[C@@H](c2ccccc2)[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of [(1S)-1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethoxy]-tert-butyl-dimethylsilane?
The InChIKey is NHDHTONACDLXFE-HZZCBIDNSA-N. The full InChI is InChI=1S/C21H35NO3Si/c1-14(25-26(7,8)20(2,3)4)16-18-19(24-21(5,6)23-18)17(22-16)15-12-10-9-11-13-15/h9-14,16-19,22H,1-8H3/t14-,16-,17-,18+,19-/m0/s1.
What are the key properties of [(1S)-1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethoxy]-tert-butyl-dimethylsilane?
[(1S)-1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethoxy]-tert-butyl-dimethylsilane has a molecular weight of 377.60 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(3aR,4R,6S,6aS)-2,2-dimethyl-6-phenyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 101178044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).