[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane

C27H58O4Si3 — CID 101106917

IUPAC[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@H]1OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H58O4Si3/c1-20(2)34(21(3)4,22(5)6)29-19-24-25(31-33(15,16)27(10,11)12)23(17-18-28-24)30-32(13,14)26(7,8)9/h17-18,20-25H,19H2,1-16H3/t23-,24-,25-/m1/s1
InChIKeyAYBXQEIUBARTCO-UBFVSLLYSA-N
MW531.02 g/mol
LogP8.87
Rot. Bonds10

About [(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane

[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 101106917) has the molecular formula C27H58O4Si3 and a molecular weight of 531.02 g/mol. Its IUPAC name is [(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
PubChem CID101106917
Molecular FormulaC27H58O4Si3
Molecular Weight531.02 g/mol
Exact Mass530.36
IUPAC Name[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@H]1OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H58O4Si3/c1-20(2)34(21(3)4,22(5)6)29-19-24-25(31-33(15,16)27(10,11)12)23(17-18-28-24)30-32(13,14)26(7,8)9/h17-18,20-25H,19H2,1-16H3/t23-,24-,25-/m1/s1
InChIKeyAYBXQEIUBARTCO-UBFVSLLYSA-N
XLogP8.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.02
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-Anhydro-2-deoxy-3,5-bis-O-(t-butyldimethylsilyl)-D-erythro-pent-1-enitol
CID 11824133
Tri-O-(tert-butyldimethylsilyl)-D-glucal
CID 10648718
1,5-Anhydro-2-deoxy-3,4,6-tris-O-(triisopropylsilyl)-D-arabino-hex-1-enitol
CID 11181065
3,6-Di-O-tert-butyldimethylsilyl-D-glucal
CID 14176659
[(4aR,8R,8aR)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane
CID 134940111
tri(propan-2-yl)-[[(2R,3R,4R)-6-tributylstannyl-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]silane
CID 10909148
(4aR,8R,8aS)-2,2-ditert-butyl-8-ethenoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
CID 44235847
triethyl-[[(2R,3R,4R)-3-triethylsilyloxy-2-(triethylsilyloxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane
CID 10863880
[(4aR,8R,8aR)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
CID 10961214
[(4aR,8R,8aR)-2,2-ditert-butyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
CID 10941616
lithium tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]-dimethylsilane
CID 11079036
[(4aR,8R,8aR)-2,2-ditert-butyl-6-iodo-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
CID 11124630

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane (CID 101106917) is [(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane is CC(C)[Si](OC[C@H]1OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is AYBXQEIUBARTCO-UBFVSLLYSA-N. The full InChI is InChI=1S/C27H58O4Si3/c1-20(2)34(21(3)4,22(5)6)29-19-24-25(31-33(15,16)27(10,11)12)23(17-18-28-24)30-32(13,14)26(7,8)9/h17-18,20-25H,19H2,1-16H3/t23-,24-,25-/m1/s1.
What are the key properties of [(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane?
[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 531.02 g/mol, XLogP of 8.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 101106917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).