[(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol

C21H42O3 — CID 139910442

IUPAC[(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol
SMILESCCCCCCCCCCCCCCCCOC[C@H]1C[C@H](CO)O1
InChIInChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-19-21-17-20(18-22)24-21/h20-22H,2-19H2,1H3/t20-,21-/m1/s1
InChIKeyPKRKFDYZPULAGJ-NHCUHLMSSA-N
MW342.56 g/mol
LogP5.63
Rot. Bonds18

About [(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol

[(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol (PubChem CID 139910442) has the molecular formula C21H42O3 and a molecular weight of 342.56 g/mol. Its IUPAC name is [(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol
PubChem CID139910442
Molecular FormulaC21H42O3
Molecular Weight342.56 g/mol
Exact Mass342.31
IUPAC Name[(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol
SMILESCCCCCCCCCCCCCCCCOC[C@H]1C[C@H](CO)O1
InChIInChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-19-21-17-20(18-22)24-21/h20-22H,2-19H2,1H3/t20-,21-/m1/s1
InChIKeyPKRKFDYZPULAGJ-NHCUHLMSSA-N
XLogP5.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.56
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(dodecoxymethyl)-1,4-dioxane
CID 102503565
[4-(octadecoxymethyl)oxolan-2-yl]methanol
CID 14785833
[(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol
CID 67903515
[5-(octadecoxymethyl)oxolan-3-yl]methanol
CID 14785862
[(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol
CID 18644179
[(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol
CID 129383460
1-hexoxyhexane;oxiran-2-ylmethanol
CID 87532682
[(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol
CID 122607745
[(2S,5S)-5-(octadecoxymethyl)oxolan-2-yl]methylazanium
CID 140746023
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol?
The IUPAC name of [(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol (CID 139910442) is [(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol.
What is the SMILES notation for [(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol?
The canonical SMILES for [(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol is CCCCCCCCCCCCCCCCOC[C@H]1C[C@H](CO)O1.
What is the InChIKey of [(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol?
The InChIKey is PKRKFDYZPULAGJ-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-19-21-17-20(18-22)24-21/h20-22H,2-19H2,1H3/t20-,21-/m1/s1.
What are the key properties of [(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol?
[(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol has a molecular weight of 342.56 g/mol, XLogP of 5.63, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol is sourced from PubChem (CID 139910442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).