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-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]hydroxylamine

C24H35NO6Si — CID 11282630

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-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]hydroxylamine
SMILESCC1(C)O[C@H]2[C@@H]([C@H]3COC(C)(C)O3)O[C@H](N(O)[C@@H](C#C[Si](C)(C)C)c3ccccc3)[C@H]2O1
InChIInChI=1S/C24H35NO6Si/c1-23(2)27-15-18(29-23)19-20-21(31-24(3,4)30-20)22(28-19)25(26)17(13-14-32(5,6)7)16-11-9-8-10-12-16/h8-12,17-22,26H,15H2,1-7H3/t17-,18+,19+,20-,21-,22-/m0/s1
InChIKeyWPJIPKRSPOVFEF-ZCPXKWAGSA-N
MW461.63 g/mol
LogP3.70
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-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]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-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]hydroxylamine (PubChem CID 11282630) has the molecular formula C24H35NO6Si and a molecular weight of 461.63 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-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]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-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]hydroxylamine
PubChem CID11282630
Molecular FormulaC24H35NO6Si
Molecular Weight461.63 g/mol
Exact Mass461.22
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-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]hydroxylamine
SMILESCC1(C)O[C@H]2[C@@H]([C@H]3COC(C)(C)O3)O[C@H](N(O)[C@@H](C#C[Si](C)(C)C)c3ccccc3)[C@H]2O1
InChIInChI=1S/C24H35NO6Si/c1-23(2)27-15-18(29-23)19-20-21(31-24(3,4)30-20)22(28-19)25(26)17(13-14-32(5,6)7)16-11-9-8-10-12-16/h8-12,17-22,26H,15H2,1-7H3/t17-,18+,19+,20-,21-,22-/m0/s1
InChIKeyWPJIPKRSPOVFEF-ZCPXKWAGSA-N
XLogP3.70
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 53.70
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'}

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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-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]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-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]hydroxylamine (CID 11282630) 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-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]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-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]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-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]hydroxylamine is CC1(C)O[C@H]2[C@@H]([C@H]3COC(C)(C)O3)O[C@H](N(O)[C@@H](C#C[Si](C)(C)C)c3ccccc3)[C@H]2O1.
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-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]hydroxylamine?
The InChIKey is WPJIPKRSPOVFEF-ZCPXKWAGSA-N. The full InChI is InChI=1S/C24H35NO6Si/c1-23(2)27-15-18(29-23)19-20-21(31-24(3,4)30-20)22(28-19)25(26)17(13-14-32(5,6)7)16-11-9-8-10-12-16/h8-12,17-22,26H,15H2,1-7H3/t17-,18+,19+,20-,21-,22-/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-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]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-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]hydroxylamine has a molecular weight of 461.63 g/mol, XLogP of 3.70, 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-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]hydroxylamine is sourced from PubChem (CID 11282630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).