3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol

C28H30O3 — CID 42631565

IUPAC3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol
SMILESC=C1C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]1CCCO
InChIInChI=1S/C28H30O3/c1-22-20-26(31-27(22)18-11-19-29)21-30-28(23-12-5-2-6-13-23,24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-17,26-27,29H,1,11,18-21H2/t26-,27-/m1/s1
InChIKeyQYNVBXQTYMVUNC-KAYWLYCHSA-N
MW414.55 g/mol
LogP5.48
Rot. Bonds9

About 3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol

3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol (PubChem CID 42631565) has the molecular formula C28H30O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol
PubChem CID42631565
Molecular FormulaC28H30O3
Molecular Weight414.55 g/mol
Exact Mass414.22
IUPAC Name3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol
SMILESC=C1C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]1CCCO
InChIInChI=1S/C28H30O3/c1-22-20-26(31-27(22)18-11-19-29)21-30-28(23-12-5-2-6-13-23,24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-17,26-27,29H,1,11,18-21H2/t26-,27-/m1/s1
InChIKeyQYNVBXQTYMVUNC-KAYWLYCHSA-N
XLogP5.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol?
The IUPAC name of 3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol (CID 42631565) is 3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol is C=C1C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]1CCCO.
What is the InChIKey of 3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol?
The InChIKey is QYNVBXQTYMVUNC-KAYWLYCHSA-N. The full InChI is InChI=1S/C28H30O3/c1-22-20-26(31-27(22)18-11-19-29)21-30-28(23-12-5-2-6-13-23,24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-17,26-27,29H,1,11,18-21H2/t26-,27-/m1/s1.
What are the key properties of 3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol?
3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol has a molecular weight of 414.55 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol is sourced from PubChem (CID 42631565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).