[(2R,3S,4S)-3-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane

C28H58O3Si2 — CID 11038385

IUPAC[(2R,3S,4S)-3-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCCC[C@H]1OC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C28H58O3Si2/c1-20(2)32(21(3)4,22(5)6)30-18-15-14-16-27-26(13)28(17-19-29-27)31-33(23(7)8,24(9)10)25(11)12/h17,19-28H,14-16,18H2,1-13H3/t26-,27+,28-/m0/s1
InChIKeyVMZRQCAVSUBOGE-IARZGTGTSA-N
MW498.94 g/mol
LogP9.46
Rot. Bonds14

About [(2R,3S,4S)-3-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane

[(2R,3S,4S)-3-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11038385) has the molecular formula C28H58O3Si2 and a molecular weight of 498.94 g/mol. Its IUPAC name is [(2R,3S,4S)-3-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,3S,4S)-3-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane
PubChem CID11038385
Molecular FormulaC28H58O3Si2
Molecular Weight498.94 g/mol
Exact Mass498.39
IUPAC Name[(2R,3S,4S)-3-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCCC[C@H]1OC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C28H58O3Si2/c1-20(2)32(21(3)4,22(5)6)30-18-15-14-16-27-26(13)28(17-19-29-27)31-33(23(7)8,24(9)10)25(11)12/h17,19-28H,14-16,18H2,1-13H3/t26-,27+,28-/m0/s1
InChIKeyVMZRQCAVSUBOGE-IARZGTGTSA-N
XLogP9.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.94
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S)-3-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2R,3S,4S)-3-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane (CID 11038385) is [(2R,3S,4S)-3-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,3S,4S)-3-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,3S,4S)-3-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](OCCCC[C@H]1OC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C)(C(C)C)C(C)C.
What is the InChIKey of [(2R,3S,4S)-3-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is VMZRQCAVSUBOGE-IARZGTGTSA-N. The full InChI is InChI=1S/C28H58O3Si2/c1-20(2)32(21(3)4,22(5)6)30-18-15-14-16-27-26(13)28(17-19-29-27)31-33(23(7)8,24(9)10)25(11)12/h17,19-28H,14-16,18H2,1-13H3/t26-,27+,28-/m0/s1.
What are the key properties of [(2R,3S,4S)-3-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?
[(2R,3S,4S)-3-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 498.94 g/mol, XLogP of 9.46, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-3-methyl-2-[4-tri(propan-2-yl)silyloxybutyl]-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11038385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).