2-hex-1-enoxy-3-trityloxypropan-1-ol

C28H32O3 — CID 90954826

IUPAC2-hex-1-enoxy-3-trityloxypropan-1-ol
SMILESCCCCC=COC(CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32O3/c1-2-3-4-14-21-30-27(22-29)23-31-28(24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-21,27,29H,2-4,22-23H2,1H3
InChIKeyGQAVSCZCJVWQMY-UHFFFAOYSA-N
MW416.56 g/mol
LogP6.08
Rot. Bonds12

About 2-hex-1-enoxy-3-trityloxypropan-1-ol

2-hex-1-enoxy-3-trityloxypropan-1-ol (PubChem CID 90954826) has the molecular formula C28H32O3 and a molecular weight of 416.56 g/mol. Its IUPAC name is 2-hex-1-enoxy-3-trityloxypropan-1-ol.

Molecular Properties

Compound Name2-hex-1-enoxy-3-trityloxypropan-1-ol
PubChem CID90954826
Molecular FormulaC28H32O3
Molecular Weight416.56 g/mol
Exact Mass416.24
IUPAC Name2-hex-1-enoxy-3-trityloxypropan-1-ol
SMILESCCCCC=COC(CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32O3/c1-2-3-4-14-21-30-27(22-29)23-31-28(24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-21,27,29H,2-4,22-23H2,1H3
InChIKeyGQAVSCZCJVWQMY-UHFFFAOYSA-N
XLogP6.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.56
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hex-1-enoxy-3-trityloxypropan-1-ol?
The IUPAC name of 2-hex-1-enoxy-3-trityloxypropan-1-ol (CID 90954826) is 2-hex-1-enoxy-3-trityloxypropan-1-ol.
What is the SMILES notation for 2-hex-1-enoxy-3-trityloxypropan-1-ol?
The canonical SMILES for 2-hex-1-enoxy-3-trityloxypropan-1-ol is CCCCC=COC(CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hex-1-enoxy-3-trityloxypropan-1-ol?
The InChIKey is GQAVSCZCJVWQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O3/c1-2-3-4-14-21-30-27(22-29)23-31-28(24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-21,27,29H,2-4,22-23H2,1H3.
What are the key properties of 2-hex-1-enoxy-3-trityloxypropan-1-ol?
2-hex-1-enoxy-3-trityloxypropan-1-ol has a molecular weight of 416.56 g/mol, XLogP of 6.08, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-enoxy-3-trityloxypropan-1-ol is sourced from PubChem (CID 90954826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).