[(3aR,5R,6S,6aS)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane

C24H30ClNO5Si — CID 10939705

IUPAC[(3aR,5R,6S,6aS)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC1(C)O[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@](Cl)(N=O)[C@H]2O1
InChIInChI=1S/C24H30ClNO5Si/c1-22(2,3)32(17-12-8-6-9-13-17,18-14-10-7-11-15-18)28-16-19-24(25,26-27)20-21(29-19)31-23(4,5)30-20/h6-15,19-21H,16H2,1-5H3/t19-,20+,21-,24-/m1/s1
InChIKeyPTSPISQPUVFDOP-OOICKAIWSA-N
MW476.05 g/mol
LogP4.14
Rot. Bonds6

About [(3aR,5R,6S,6aS)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane

[(3aR,5R,6S,6aS)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 10939705) has the molecular formula C24H30ClNO5Si and a molecular weight of 476.05 g/mol. Its IUPAC name is [(3aR,5R,6S,6aS)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3aR,5R,6S,6aS)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID10939705
Molecular FormulaC24H30ClNO5Si
Molecular Weight476.05 g/mol
Exact Mass475.16
IUPAC Name[(3aR,5R,6S,6aS)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC1(C)O[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@](Cl)(N=O)[C@H]2O1
InChIInChI=1S/C24H30ClNO5Si/c1-22(2,3)32(17-12-8-6-9-13-17,18-14-10-7-11-15-18)28-16-19-24(25,26-27)20-21(29-19)31-23(4,5)30-20/h6-15,19-21H,16H2,1-5H3/t19-,20+,21-,24-/m1/s1
InChIKeyPTSPISQPUVFDOP-OOICKAIWSA-N
XLogP4.14
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.05
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

[(3aR,5R)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 134845229
[(5R,6S,6aS)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 134991983
[(3aR,5S,6R,6aR)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 15858554
[(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] 2,2,2-trichloroethanimidate
CID 11753441
[(3aR,5R,6R,6aS)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]oxy-tert-butyl-diphenylsilane
CID 100914580
[(3aS,5S,6R,6aR)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 100914587

Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,6S,6aS)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3aR,5R,6S,6aS)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (CID 10939705) is [(3aR,5R,6S,6aS)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3aR,5R,6S,6aS)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3aR,5R,6S,6aS)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is CC1(C)O[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@](Cl)(N=O)[C@H]2O1.
What is the InChIKey of [(3aR,5R,6S,6aS)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is PTSPISQPUVFDOP-OOICKAIWSA-N. The full InChI is InChI=1S/C24H30ClNO5Si/c1-22(2,3)32(17-12-8-6-9-13-17,18-14-10-7-11-15-18)28-16-19-24(25,26-27)20-21(29-19)31-23(4,5)30-20/h6-15,19-21H,16H2,1-5H3/t19-,20+,21-,24-/m1/s1.
What are the key properties of [(3aR,5R,6S,6aS)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?
[(3aR,5R,6S,6aS)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 476.05 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5R,6S,6aS)-6-chloro-2,2-dimethyl-6-nitroso-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 10939705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).