[(2R,3R)-4-(azidomethyl)-2,3-bis(methoxymethoxy)pent-4-enoxy]-tert-butyl-diphenylsilane

C26H37N3O5Si — CID 10767680

IUPAC[(2R,3R)-4-(azidomethyl)-2,3-bis(methoxymethoxy)pent-4-enoxy]-tert-butyl-diphenylsilane
SMILESC=C(CN=[N+]=[N-])[C@@H](OCOC)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC
InChIInChI=1S/C26H37N3O5Si/c1-21(17-28-29-27)25(33-20-31-6)24(32-19-30-5)18-34-35(26(2,3)4,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,24-25H,1,17-20H2,2-6H3/t24-,25-/m1/s1
InChIKeyTXKGZXUSMLMUSJ-JWQCQUIFSA-N
MW499.68 g/mol
LogP4.41
Rot. Bonds15

About [(2R,3R)-4-(azidomethyl)-2,3-bis(methoxymethoxy)pent-4-enoxy]-tert-butyl-diphenylsilane

[(2R,3R)-4-(azidomethyl)-2,3-bis(methoxymethoxy)pent-4-enoxy]-tert-butyl-diphenylsilane (PubChem CID 10767680) has the molecular formula C26H37N3O5Si and a molecular weight of 499.68 g/mol. Its IUPAC name is [(2R,3R)-4-(azidomethyl)-2,3-bis(methoxymethoxy)pent-4-enoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2R,3R)-4-(azidomethyl)-2,3-bis(methoxymethoxy)pent-4-enoxy]-tert-butyl-diphenylsilane
PubChem CID10767680
Molecular FormulaC26H37N3O5Si
Molecular Weight499.68 g/mol
Exact Mass499.25
IUPAC Name[(2R,3R)-4-(azidomethyl)-2,3-bis(methoxymethoxy)pent-4-enoxy]-tert-butyl-diphenylsilane
SMILESC=C(CN=[N+]=[N-])[C@@H](OCOC)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC
InChIInChI=1S/C26H37N3O5Si/c1-21(17-28-29-27)25(33-20-31-6)24(32-19-30-5)18-34-35(26(2,3)4,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,24-25H,1,17-20H2,2-6H3/t24-,25-/m1/s1
InChIKeyTXKGZXUSMLMUSJ-JWQCQUIFSA-N
XLogP4.41
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 54.41
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 10575080
[(1R)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 10765538
[(2S,3S,6S)-3-(2-azidoethyl)-2-prop-2-enoxy-3,6-dihydro-2H-pyran-6-yl]methoxy-tert-butyl-diphenylsilane
CID 60202944

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-4-(azidomethyl)-2,3-bis(methoxymethoxy)pent-4-enoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(2R,3R)-4-(azidomethyl)-2,3-bis(methoxymethoxy)pent-4-enoxy]-tert-butyl-diphenylsilane (CID 10767680) is [(2R,3R)-4-(azidomethyl)-2,3-bis(methoxymethoxy)pent-4-enoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2R,3R)-4-(azidomethyl)-2,3-bis(methoxymethoxy)pent-4-enoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2R,3R)-4-(azidomethyl)-2,3-bis(methoxymethoxy)pent-4-enoxy]-tert-butyl-diphenylsilane is C=C(CN=[N+]=[N-])[C@@H](OCOC)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC.
What is the InChIKey of [(2R,3R)-4-(azidomethyl)-2,3-bis(methoxymethoxy)pent-4-enoxy]-tert-butyl-diphenylsilane?
The InChIKey is TXKGZXUSMLMUSJ-JWQCQUIFSA-N. The full InChI is InChI=1S/C26H37N3O5Si/c1-21(17-28-29-27)25(33-20-31-6)24(32-19-30-5)18-34-35(26(2,3)4,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,24-25H,1,17-20H2,2-6H3/t24-,25-/m1/s1.
What are the key properties of [(2R,3R)-4-(azidomethyl)-2,3-bis(methoxymethoxy)pent-4-enoxy]-tert-butyl-diphenylsilane?
[(2R,3R)-4-(azidomethyl)-2,3-bis(methoxymethoxy)pent-4-enoxy]-tert-butyl-diphenylsilane has a molecular weight of 499.68 g/mol, XLogP of 4.41, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-4-(azidomethyl)-2,3-bis(methoxymethoxy)pent-4-enoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 10767680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).