N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]hydroxylamine

C21H37NO6Si — CID 101375141

IUPACN-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]hydroxylamine
SMILESCC(C)[C@H](C#C[Si](C)(C)C)N(O)[C@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C21H37NO6Si/c1-13(2)14(10-11-29(7,8)9)22(23)19-18-17(27-21(5,6)28-18)16(25-19)15-12-24-20(3,4)26-15/h13-19,23H,12H2,1-9H3/t14-,15+,16+,17-,18-,19-/m0/s1
InChIKeyWHMIVXREZCSPRM-ZOFHRBRSSA-N
MW427.61 g/mol
LogP2.98
Rot. Bonds4

About N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]hydroxylamine

N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]hydroxylamine (PubChem CID 101375141) has the molecular formula C21H37NO6Si and a molecular weight of 427.61 g/mol. Its IUPAC name is N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]hydroxylamine.

Molecular Properties

Compound NameN-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]hydroxylamine
PubChem CID101375141
Molecular FormulaC21H37NO6Si
Molecular Weight427.61 g/mol
Exact Mass427.24
IUPAC NameN-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]hydroxylamine
SMILESCC(C)[C@H](C#C[Si](C)(C)C)N(O)[C@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C21H37NO6Si/c1-13(2)14(10-11-29(7,8)9)22(23)19-18-17(27-21(5,6)28-18)16(25-19)15-12-24-20(3,4)26-15/h13-19,23H,12H2,1-9H3/t14-,15+,16+,17-,18-,19-/m0/s1
InChIKeyWHMIVXREZCSPRM-ZOFHRBRSSA-N
XLogP2.98
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]hydroxylamine with MolForge

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Related Compounds

N-[(3aS,4R,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(4S)-6-methyl-1-[(2-methylpropan-2-yl)oxy]hept-2-yn-4-yl]hydroxylamine
CID 134926010
N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1S)-1-(1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 10478125
N-[(3aR,4R,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(1R)-1-(1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 10863020
(3aR,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 12719632
(3aR,4R,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 11436871
(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(2R)-3-methyloxiran-2-yl]-1,3-dioxolane
CID 102250343
(3aS,6R,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-4-[1-(2-methylpropoxy)ethoxy]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 58860262
N-[(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methylpropan-1-imine oxide
CID 134884377
N-[(3aR,4R,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-methylpropan-1-imine oxide
CID 101468644
(3aR,5S,6aS)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 70373210
(6R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 58695068
(5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 12613921

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]hydroxylamine?
The IUPAC name of N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]hydroxylamine (CID 101375141) is N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]hydroxylamine.
What is the SMILES notation for N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]hydroxylamine?
The canonical SMILES for N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]hydroxylamine is CC(C)[C@H](C#C[Si](C)(C)C)N(O)[C@H]1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]hydroxylamine?
The InChIKey is WHMIVXREZCSPRM-ZOFHRBRSSA-N. The full InChI is InChI=1S/C21H37NO6Si/c1-13(2)14(10-11-29(7,8)9)22(23)19-18-17(27-21(5,6)28-18)16(25-19)15-12-24-20(3,4)26-15/h13-19,23H,12H2,1-9H3/t14-,15+,16+,17-,18-,19-/m0/s1.
What are the key properties of N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]hydroxylamine?
N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]hydroxylamine has a molecular weight of 427.61 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-[(3R)-4-methyl-1-trimethylsilylpent-1-yn-3-yl]hydroxylamine is sourced from PubChem (CID 101375141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).