[(2R,3R,4R)-6-iodo-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane

C33H69IO4Si3 — CID 11787507

IUPAC[(2R,3R,4R)-6-iodo-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@H]1OC(I)=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/C33H69IO4Si3/c1-21(2)39(22(3)4,23(5)6)35-20-31-33(38-41(27(13)14,28(15)16)29(17)18)30(19-32(34)36-31)37-40(24(7)8,25(9)10)26(11)12/h19,21-31,33H,20H2,1-18H3/t30-,31-,33+/m1/s1
InChIKeyJUGLXCNRWMCIPT-IZWPZILSSA-N
MW741.07 g/mol
LogP11.98
Rot. Bonds16

About [(2R,3R,4R)-6-iodo-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane

[(2R,3R,4R)-6-iodo-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 11787507) has the molecular formula C33H69IO4Si3 and a molecular weight of 741.07 g/mol. Its IUPAC name is [(2R,3R,4R)-6-iodo-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,3R,4R)-6-iodo-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
PubChem CID11787507
Molecular FormulaC33H69IO4Si3
Molecular Weight741.07 g/mol
Exact Mass740.35
IUPAC Name[(2R,3R,4R)-6-iodo-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@H]1OC(I)=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/C33H69IO4Si3/c1-21(2)39(22(3)4,23(5)6)35-20-31-33(38-41(27(13)14,28(15)16)29(17)18)30(19-32(34)36-31)37-40(24(7)8,25(9)10)26(11)12/h19,21-31,33H,20H2,1-18H3/t30-,31-,33+/m1/s1
InChIKeyJUGLXCNRWMCIPT-IZWPZILSSA-N
XLogP11.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.07
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-6-iodo-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(2R,3R,4R)-6-iodo-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane (CID 11787507) is [(2R,3R,4R)-6-iodo-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,3R,4R)-6-iodo-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,3R,4R)-6-iodo-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane is CC(C)[Si](OC[C@H]1OC(I)=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 [(2R,3R,4R)-6-iodo-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is JUGLXCNRWMCIPT-IZWPZILSSA-N. The full InChI is InChI=1S/C33H69IO4Si3/c1-21(2)39(22(3)4,23(5)6)35-20-31-33(38-41(27(13)14,28(15)16)29(17)18)30(19-32(34)36-31)37-40(24(7)8,25(9)10)26(11)12/h19,21-31,33H,20H2,1-18H3/t30-,31-,33+/m1/s1.
What are the key properties of [(2R,3R,4R)-6-iodo-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane?
[(2R,3R,4R)-6-iodo-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 741.07 g/mol, XLogP of 11.98, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-6-iodo-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11787507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).