1-prop-2-enoxy-3-trityloxypropan-2-ol

C25H26O3 — CID 3540668

IUPAC1-prop-2-enoxy-3-trityloxypropan-2-ol
SMILESC=CCOCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O3/c1-2-18-27-19-24(26)20-28-25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h2-17,24,26H,1,18-20H2
InChIKeyFVWFWQYBHJAGCL-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.56
Rot. Bonds10

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

1-prop-2-enoxy-3-trityloxypropan-2-ol (PubChem CID 3540668) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-prop-2-enoxy-3-trityloxypropan-2-ol.

Molecular Properties

Compound Name1-prop-2-enoxy-3-trityloxypropan-2-ol
PubChem CID3540668
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name1-prop-2-enoxy-3-trityloxypropan-2-ol
SMILESC=CCOCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O3/c1-2-18-27-19-24(26)20-28-25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h2-17,24,26H,1,18-20H2
InChIKeyFVWFWQYBHJAGCL-UHFFFAOYSA-N
XLogP4.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-non-8-enoxy-3-trityloxypropan-2-ol
CID 168868350
(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
CID 11582634
2,2-bis(2-hydroxy-3-prop-2-enoxypropoxy)-1,2-diphenylethanone
CID 15156922
(2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol
CID 45033911
(2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol
CID 67869334
1-tetradecoxy-3-trityloxypropan-2-ol
CID 12896847
(2R)-1-octoxy-3-trityloxypropan-2-ol
CID 67230477
(2R)-1-icosoxy-3-trityloxypropan-2-ol
CID 67327008
4-trityloxybutane-1,3-diol
CID 14027583
1,4-ditrityloxybutan-2-ol
CID 13443283
[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene
CID 11462923
(2S)-4-amino-1-trityloxybutan-2-ol
CID 11393893

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-3-trityloxypropan-2-ol?
The IUPAC name of 1-prop-2-enoxy-3-trityloxypropan-2-ol (CID 3540668) is 1-prop-2-enoxy-3-trityloxypropan-2-ol.
What is the SMILES notation for 1-prop-2-enoxy-3-trityloxypropan-2-ol?
The canonical SMILES for 1-prop-2-enoxy-3-trityloxypropan-2-ol is C=CCOCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-prop-2-enoxy-3-trityloxypropan-2-ol?
The InChIKey is FVWFWQYBHJAGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3/c1-2-18-27-19-24(26)20-28-25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h2-17,24,26H,1,18-20H2.
What are the key properties of 1-prop-2-enoxy-3-trityloxypropan-2-ol?
1-prop-2-enoxy-3-trityloxypropan-2-ol has a molecular weight of 374.48 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-3-trityloxypropan-2-ol is sourced from PubChem (CID 3540668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).