[(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane

C31H57NO5Si3 — CID 177391057

IUPAC[(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2OC(c3ccccc3)=N[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H57NO5Si3/c1-29(2,3)38(10,11)33-21-23-25(36-39(12,13)30(4,5)6)26(37-40(14,15)31(7,8)9)24-28(34-23)35-27(32-24)22-19-17-16-18-20-22/h16-20,23-26,28H,21H2,1-15H3/t23-,24-,25-,26-,28-/m1/s1
InChIKeyBFHFDYKIFOSSRX-RDVFURSVSA-N
MW608.06 g/mol
LogP8.36
Rot. Bonds8

About [(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane

[(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 177391057) has the molecular formula C31H57NO5Si3 and a molecular weight of 608.06 g/mol. Its IUPAC name is [(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID177391057
Molecular FormulaC31H57NO5Si3
Molecular Weight608.06 g/mol
Exact Mass607.35
IUPAC Name[(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2OC(c3ccccc3)=N[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H57NO5Si3/c1-29(2,3)38(10,11)33-21-23-25(36-39(12,13)30(4,5)6)26(37-40(14,15)31(7,8)9)24-28(34-23)35-27(32-24)22-19-17-16-18-20-22/h16-20,23-26,28H,21H2,1-15H3/t23-,24-,25-,26-,28-/m1/s1
InChIKeyBFHFDYKIFOSSRX-RDVFURSVSA-N
XLogP8.36
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.06
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

[(1R,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane
CID 14408406
[(2S,3R,4S,5S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 57337579
CID 88871663
CID 88871663
5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N,N-dimethylpyridin-2-amine
CID 53474641
6-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyridin-2-amine
CID 44633293
5-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-pyridin-2-one
CID 53474644
[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134930554
tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenoxyoxolan-3-yl]oxy-dimethylsilane
CID 139670541
3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1,3,5-triazepane-2,4,6,7-tetrone
CID 135065849
(11R,13R,14R,15S)-14-[tert-butyl(dimethyl)silyl]oxy-13-[[tert-butyl(dimethyl)silyl]oxymethyl]-12,16-dioxa-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one
CID 101345446
[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(5-phenyltriazol-1-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 46210058
tert-butyl-[[(2S,4S,6R)-4-(methoxymethoxy)-6-phenyloxan-2-yl]methoxy]-dimethylsilane
CID 166448933

Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane (CID 177391057) is [(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2OC(c3ccccc3)=N[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is BFHFDYKIFOSSRX-RDVFURSVSA-N. The full InChI is InChI=1S/C31H57NO5Si3/c1-29(2,3)38(10,11)33-21-23-25(36-39(12,13)30(4,5)6)26(37-40(14,15)31(7,8)9)24-28(34-23)35-27(32-24)22-19-17-16-18-20-22/h16-20,23-26,28H,21H2,1-15H3/t23-,24-,25-,26-,28-/m1/s1.
What are the key properties of [(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?
[(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 608.06 g/mol, XLogP of 8.36, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5R,6R,7R,7aR)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 177391057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).