[(3S,4S,6S)-4,6-dimethyl-2-tri(propan-2-yl)silyloxyoxan-3-yl]oxy-tri(propan-2-yl)silane

C25H54O3Si2 — CID 134974170

IUPAC[(3S,4S,6S)-4,6-dimethyl-2-tri(propan-2-yl)silyloxyoxan-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1O[C@@H](C)C[C@H](C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H54O3Si2/c1-16(2)29(17(3)4,18(5)6)27-24-22(13)15-23(14)26-25(24)28-30(19(7)8,20(9)10)21(11)12/h16-25H,15H2,1-14H3/t22-,23-,24-,25?/m0/s1
InChIKeyDBHXGFATWACFIV-UKXRBIRESA-N
MW458.88 g/mol
LogP8.51
Rot. Bonds10

About [(3S,4S,6S)-4,6-dimethyl-2-tri(propan-2-yl)silyloxyoxan-3-yl]oxy-tri(propan-2-yl)silane

[(3S,4S,6S)-4,6-dimethyl-2-tri(propan-2-yl)silyloxyoxan-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 134974170) has the molecular formula C25H54O3Si2 and a molecular weight of 458.88 g/mol. Its IUPAC name is [(3S,4S,6S)-4,6-dimethyl-2-tri(propan-2-yl)silyloxyoxan-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3S,4S,6S)-4,6-dimethyl-2-tri(propan-2-yl)silyloxyoxan-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID134974170
Molecular FormulaC25H54O3Si2
Molecular Weight458.88 g/mol
Exact Mass458.36
IUPAC Name[(3S,4S,6S)-4,6-dimethyl-2-tri(propan-2-yl)silyloxyoxan-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1O[C@@H](C)C[C@H](C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H54O3Si2/c1-16(2)29(17(3)4,18(5)6)27-24-22(13)15-23(14)26-25(24)28-30(19(7)8,20(9)10)21(11)12/h16-25H,15H2,1-14H3/t22-,23-,24-,25?/m0/s1
InChIKeyDBHXGFATWACFIV-UKXRBIRESA-N
XLogP8.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.88
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S,6S)-4,6-dimethyl-2-tri(propan-2-yl)silyloxyoxan-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3S,4S,6S)-4,6-dimethyl-2-tri(propan-2-yl)silyloxyoxan-3-yl]oxy-tri(propan-2-yl)silane (CID 134974170) is [(3S,4S,6S)-4,6-dimethyl-2-tri(propan-2-yl)silyloxyoxan-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3S,4S,6S)-4,6-dimethyl-2-tri(propan-2-yl)silyloxyoxan-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3S,4S,6S)-4,6-dimethyl-2-tri(propan-2-yl)silyloxyoxan-3-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](OC1O[C@@H](C)C[C@H](C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(3S,4S,6S)-4,6-dimethyl-2-tri(propan-2-yl)silyloxyoxan-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is DBHXGFATWACFIV-UKXRBIRESA-N. The full InChI is InChI=1S/C25H54O3Si2/c1-16(2)29(17(3)4,18(5)6)27-24-22(13)15-23(14)26-25(24)28-30(19(7)8,20(9)10)21(11)12/h16-25H,15H2,1-14H3/t22-,23-,24-,25?/m0/s1.
What are the key properties of [(3S,4S,6S)-4,6-dimethyl-2-tri(propan-2-yl)silyloxyoxan-3-yl]oxy-tri(propan-2-yl)silane?
[(3S,4S,6S)-4,6-dimethyl-2-tri(propan-2-yl)silyloxyoxan-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 458.88 g/mol, XLogP of 8.51, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,6S)-4,6-dimethyl-2-tri(propan-2-yl)silyloxyoxan-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134974170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).