[(1S,3R,4S,5R,6S)-4-methyl-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tri(propan-2-yl)silane

C25H52O4Si2 — CID 10906831

IUPAC[(1S,3R,4S,5R,6S)-4-methyl-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H]1O[C@H]2O[C@H]2[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C25H52O4Si2/c1-15(2)30(16(3)4,17(5)6)26-14-22-21(13)23(24-25(27-22)28-24)29-31(18(7)8,19(9)10)20(11)12/h15-25H,14H2,1-13H3/t21-,22-,23+,24-,25-/m0/s1
InChIKeyRXGTVDVVBBFTLM-GIDFYXQGSA-N
MW472.86 g/mol
LogP7.50
Rot. Bonds11

About [(1S,3R,4S,5R,6S)-4-methyl-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tri(propan-2-yl)silane

[(1S,3R,4S,5R,6S)-4-methyl-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 10906831) has the molecular formula C25H52O4Si2 and a molecular weight of 472.86 g/mol. Its IUPAC name is [(1S,3R,4S,5R,6S)-4-methyl-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S,3R,4S,5R,6S)-4-methyl-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tri(propan-2-yl)silane
PubChem CID10906831
Molecular FormulaC25H52O4Si2
Molecular Weight472.86 g/mol
Exact Mass472.34
IUPAC Name[(1S,3R,4S,5R,6S)-4-methyl-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H]1O[C@H]2O[C@H]2[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C25H52O4Si2/c1-15(2)30(16(3)4,17(5)6)26-14-22-21(13)23(24-25(27-22)28-24)29-31(18(7)8,19(9)10)20(11)12/h15-25H,14H2,1-13H3/t21-,22-,23+,24-,25-/m0/s1
InChIKeyRXGTVDVVBBFTLM-GIDFYXQGSA-N
XLogP7.50
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.86
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4S,5R,6S)-4-methyl-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(1S,3R,4S,5R,6S)-4-methyl-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tri(propan-2-yl)silane (CID 10906831) is [(1S,3R,4S,5R,6S)-4-methyl-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S,3R,4S,5R,6S)-4-methyl-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1S,3R,4S,5R,6S)-4-methyl-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tri(propan-2-yl)silane is CC(C)[Si](OC[C@@H]1O[C@H]2O[C@H]2[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 [(1S,3R,4S,5R,6S)-4-methyl-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is RXGTVDVVBBFTLM-GIDFYXQGSA-N. The full InChI is InChI=1S/C25H52O4Si2/c1-15(2)30(16(3)4,17(5)6)26-14-22-21(13)23(24-25(27-22)28-24)29-31(18(7)8,19(9)10)20(11)12/h15-25H,14H2,1-13H3/t21-,22-,23+,24-,25-/m0/s1.
What are the key properties of [(1S,3R,4S,5R,6S)-4-methyl-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tri(propan-2-yl)silane?
[(1S,3R,4S,5R,6S)-4-methyl-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 472.86 g/mol, XLogP of 7.50, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4S,5R,6S)-4-methyl-5-tri(propan-2-yl)silyloxy-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 10906831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).