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

C33H70O4Si3 — CID 101106919

IUPACtri(propan-2-yl)-[[(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]silane
SMILESCC(C)[Si](OC[C@H]1OC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C33H70O4Si3/c1-22(2)38(23(3)4,24(5)6)35-21-32-33(37-40(28(13)14,29(15)16)30(17)18)31(19-20-34-32)36-39(25(7)8,26(9)10)27(11)12/h19-20,22-33H,21H2,1-18H3/t31-,32+,33+/m0/s1
InChIKeyHSBMTKAOOXINIY-WIHCDAFUSA-N
MW615.18 g/mol
LogP11.21
Rot. Bonds16

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

tri(propan-2-yl)-[[(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]silane (PubChem CID 101106919) has the molecular formula C33H70O4Si3 and a molecular weight of 615.18 g/mol. Its IUPAC name is tri(propan-2-yl)-[[(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[[(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]silane
PubChem CID101106919
Molecular FormulaC33H70O4Si3
Molecular Weight615.18 g/mol
Exact Mass614.46
IUPAC Nametri(propan-2-yl)-[[(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]silane
SMILESCC(C)[Si](OC[C@H]1OC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C33H70O4Si3/c1-22(2)38(23(3)4,24(5)6)35-21-32-33(37-40(28(13)14,29(15)16)30(17)18)31(19-20-34-32)36-39(25(7)8,26(9)10)27(11)12/h19-20,22-33H,21H2,1-18H3/t31-,32+,33+/m0/s1
InChIKeyHSBMTKAOOXINIY-WIHCDAFUSA-N
XLogP11.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.18
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tri(propan-2-yl)-[[(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]silane?
The IUPAC name of tri(propan-2-yl)-[[(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]silane (CID 101106919) is tri(propan-2-yl)-[[(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[[(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]silane?
The canonical SMILES for tri(propan-2-yl)-[[(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]silane is CC(C)[Si](OC[C@H]1OC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)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 tri(propan-2-yl)-[[(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]silane?
The InChIKey is HSBMTKAOOXINIY-WIHCDAFUSA-N. The full InChI is InChI=1S/C33H70O4Si3/c1-22(2)38(23(3)4,24(5)6)35-21-32-33(37-40(28(13)14,29(15)16)30(17)18)31(19-20-34-32)36-39(25(7)8,26(9)10)27(11)12/h19-20,22-33H,21H2,1-18H3/t31-,32+,33+/m0/s1.
What are the key properties of tri(propan-2-yl)-[[(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]silane?
tri(propan-2-yl)-[[(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]silane has a molecular weight of 615.18 g/mol, XLogP of 11.21, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[[(2R,3S,4S)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]silane is sourced from PubChem (CID 101106919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).