[(3aR,6R,7S,7aR)-7-azido-4-ethyl-6-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane

C18H35N3O5Si — CID 174153778

IUPAC[(3aR,6R,7S,7aR)-7-azido-4-ethyl-6-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCCC1(CO[Si](C)(C)C(C)(C)C)O[C@@H](OC)[C@@H](N=[N+]=[N-])[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C18H35N3O5Si/c1-10-18(11-23-27(8,9)16(2,3)4)14-13(24-17(5,6)25-14)12(20-21-19)15(22-7)26-18/h12-15H,10-11H2,1-9H3/t12-,13+,14+,15+,18?/m0/s1
InChIKeyMTPDKYAIJKMOPY-KKDJAQBXSA-N
MW401.58 g/mol
LogP4.36
Rot. Bonds6

About [(3aR,6R,7S,7aR)-7-azido-4-ethyl-6-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane

[(3aR,6R,7S,7aR)-7-azido-4-ethyl-6-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 174153778) has the molecular formula C18H35N3O5Si and a molecular weight of 401.58 g/mol. Its IUPAC name is [(3aR,6R,7S,7aR)-7-azido-4-ethyl-6-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,6R,7S,7aR)-7-azido-4-ethyl-6-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID174153778
Molecular FormulaC18H35N3O5Si
Molecular Weight401.58 g/mol
Exact Mass401.23
IUPAC Name[(3aR,6R,7S,7aR)-7-azido-4-ethyl-6-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCCC1(CO[Si](C)(C)C(C)(C)C)O[C@@H](OC)[C@@H](N=[N+]=[N-])[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C18H35N3O5Si/c1-10-18(11-23-27(8,9)16(2,3)4)14-13(24-17(5,6)25-14)12(20-21-19)15(22-7)26-18/h12-15H,10-11H2,1-9H3/t12-,13+,14+,15+,18?/m0/s1
InChIKeyMTPDKYAIJKMOPY-KKDJAQBXSA-N
XLogP4.36
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [(3aR,6R,7S,7aR)-7-azido-4-ethyl-6-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

[(3aS,4R,5R,6R,6aS)-6-azido-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]oxy-tert-butyl-dimethylsilane
CID 10813158
CID 58666533
CID 58666533
(3aR,5S,6S)-6-azido-2,2-dimethyl-5-(phenylmethoxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;[(2S,4R,5S)-4-azido-2-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)oxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 160766996
(3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 11602892
[(3aR,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 102183815
(3aR,4S,6S,7S,7aR)-6-[(2S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-prop-2-enoxyoxan-3-yl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4,7-diol
CID 135083042
(2R,3R,4aS,5S,7R,8S,8aS)-8-azido-2,3,7-trimethoxy-2,3,5-trimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxine
CID 139065148
(3aS,4R,6S,7R,7aR)-4-(azidomethyl)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 25267135
CID 90125491
CID 90125491
ethyl 2-[(1R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]heptan-6-yl]acetate
CID 101472100
[(4aR,6S,7R,8R,8aR)-7-azido-8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl] nitrate
CID 177447068
[(2R,3S)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]methanol
CID 10853033

Frequently Asked Questions

What is the IUPAC name of [(3aR,6R,7S,7aR)-7-azido-4-ethyl-6-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,6R,7S,7aR)-7-azido-4-ethyl-6-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane (CID 174153778) is [(3aR,6R,7S,7aR)-7-azido-4-ethyl-6-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,6R,7S,7aR)-7-azido-4-ethyl-6-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,6R,7S,7aR)-7-azido-4-ethyl-6-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane is CCC1(CO[Si](C)(C)C(C)(C)C)O[C@@H](OC)[C@@H](N=[N+]=[N-])[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of [(3aR,6R,7S,7aR)-7-azido-4-ethyl-6-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is MTPDKYAIJKMOPY-KKDJAQBXSA-N. The full InChI is InChI=1S/C18H35N3O5Si/c1-10-18(11-23-27(8,9)16(2,3)4)14-13(24-17(5,6)25-14)12(20-21-19)15(22-7)26-18/h12-15H,10-11H2,1-9H3/t12-,13+,14+,15+,18?/m0/s1.
What are the key properties of [(3aR,6R,7S,7aR)-7-azido-4-ethyl-6-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane?
[(3aR,6R,7S,7aR)-7-azido-4-ethyl-6-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 401.58 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6R,7S,7aR)-7-azido-4-ethyl-6-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 174153778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).