[(2S,3Z,5E)-4-bromo-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane

C24H43BrO3Si — CID 24740712

IUPAC[(2S,3Z,5E)-4-bromo-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane
SMILESCC(C)O[C@H]1C=CC[C@H](/C=C/C(Br)=C/[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C24H43BrO3Si/c1-17(2)27-24-12-10-11-23(28-24)14-13-22(25)15-21(9)16-26-29(18(3)4,19(5)6)20(7)8/h10,12-15,17-21,23-24H,11,16H2,1-9H3/b14-13+,22-15-/t21-,23+,24+/m0/s1
InChIKeyOFBLDHGLZHJKQU-QUZIXLBSSA-N
MW487.60 g/mol
LogP7.75
Rot. Bonds11

About [(2S,3Z,5E)-4-bromo-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane

[(2S,3Z,5E)-4-bromo-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane (PubChem CID 24740712) has the molecular formula C24H43BrO3Si and a molecular weight of 487.60 g/mol. Its IUPAC name is [(2S,3Z,5E)-4-bromo-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S,3Z,5E)-4-bromo-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane
PubChem CID24740712
Molecular FormulaC24H43BrO3Si
Molecular Weight487.60 g/mol
Exact Mass486.22
IUPAC Name[(2S,3Z,5E)-4-bromo-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane
SMILESCC(C)O[C@H]1C=CC[C@H](/C=C/C(Br)=C/[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C24H43BrO3Si/c1-17(2)27-24-12-10-11-23(28-24)14-13-22(25)15-21(9)16-26-29(18(3)4,19(5)6)20(7)8/h10,12-15,17-21,23-24H,11,16H2,1-9H3/b14-13+,22-15-/t21-,23+,24+/m0/s1
InChIKeyOFBLDHGLZHJKQU-QUZIXLBSSA-N
XLogP7.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3Z,5E)-4-bromo-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(2S,3Z,5E)-4-bromo-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane (CID 24740712) is [(2S,3Z,5E)-4-bromo-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S,3Z,5E)-4-bromo-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(2S,3Z,5E)-4-bromo-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane is CC(C)O[C@H]1C=CC[C@H](/C=C/C(Br)=C/[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)O1.
What is the InChIKey of [(2S,3Z,5E)-4-bromo-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane?
The InChIKey is OFBLDHGLZHJKQU-QUZIXLBSSA-N. The full InChI is InChI=1S/C24H43BrO3Si/c1-17(2)27-24-12-10-11-23(28-24)14-13-22(25)15-21(9)16-26-29(18(3)4,19(5)6)20(7)8/h10,12-15,17-21,23-24H,11,16H2,1-9H3/b14-13+,22-15-/t21-,23+,24+/m0/s1.
What are the key properties of [(2S,3Z,5E)-4-bromo-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane?
[(2S,3Z,5E)-4-bromo-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane has a molecular weight of 487.60 g/mol, XLogP of 7.75, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3Z,5E)-4-bromo-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 24740712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).