[(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane

C27H54O3Si2 — CID 15174750

IUPAC[(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@H]1[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@]2(C)C=C[C@H]1O2)(C(C)C)C(C)C
InChIInChI=1S/C27H54O3Si2/c1-18(2)31(19(3)4,20(5)6)28-16-24-25(27(13)15-14-26(24)30-27)17-29-32(21(7)8,22(9)10)23(11)12/h14-15,18-26H,16-17H2,1-13H3/t24-,25+,26+,27-/m0/s1
InChIKeyPCIDEXBTENGPON-YAOOYPAMSA-N
MW482.90 g/mol
LogP8.33
Rot. Bonds12

About [(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane

[(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 15174750) has the molecular formula C27H54O3Si2 and a molecular weight of 482.90 g/mol. Its IUPAC name is [(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane
PubChem CID15174750
Molecular FormulaC27H54O3Si2
Molecular Weight482.90 g/mol
Exact Mass482.36
IUPAC Name[(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@H]1[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@]2(C)C=C[C@H]1O2)(C(C)C)C(C)C
InChIInChI=1S/C27H54O3Si2/c1-18(2)31(19(3)4,20(5)6)28-16-24-25(27(13)15-14-26(24)30-27)17-29-32(21(7)8,22(9)10)23(11)12/h14-15,18-26H,16-17H2,1-13H3/t24-,25+,26+,27-/m0/s1
InChIKeyPCIDEXBTENGPON-YAOOYPAMSA-N
XLogP8.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.90
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane
CID 11370334
5,6-Bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 85404952
[(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane
CID 134887451
Tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]silane
CID 162415651
5,6-Bis[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene
CID 22618981
5-Methyl-6-[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene
CID 22619014
5-(2-Methoxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 58385668
Triethoxy-[2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)ethyl]silane
CID 69884476
5,6-Bis(pentoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 102054606
tert-butyl-[[(1R,2S,3S,4S)-3-(methoxymethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-dimethylsilane
CID 9972960
[(1S,2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 10084518
[(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 10468378

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane (CID 15174750) is [(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane is CC(C)[Si](OC[C@H]1[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@]2(C)C=C[C@H]1O2)(C(C)C)C(C)C.
What is the InChIKey of [(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is PCIDEXBTENGPON-YAOOYPAMSA-N. The full InChI is InChI=1S/C27H54O3Si2/c1-18(2)31(19(3)4,20(5)6)28-16-24-25(27(13)15-14-26(24)30-27)17-29-32(21(7)8,22(9)10)23(11)12/h14-15,18-26H,16-17H2,1-13H3/t24-,25+,26+,27-/m0/s1.
What are the key properties of [(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane?
[(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 482.90 g/mol, XLogP of 8.33, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R,4R)-1-methyl-3-[tri(propan-2-yl)silyloxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 15174750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).