5-decoxy-2-phenyl-1,3-dioxane

C20H32O3 — CID 15077847

IUPAC5-decoxy-2-phenyl-1,3-dioxane
SMILESCCCCCCCCCCOC1COC(c2ccccc2)OC1
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-12-15-21-19-16-22-20(23-17-19)18-13-10-9-11-14-18/h9-11,13-14,19-20H,2-8,12,15-17H2,1H3
InChIKeyNCVBROIPVZPARB-UHFFFAOYSA-N
MW320.47 g/mol
LogP5.26
Rot. Bonds11

About 5-decoxy-2-phenyl-1,3-dioxane

5-decoxy-2-phenyl-1,3-dioxane (PubChem CID 15077847) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 5-decoxy-2-phenyl-1,3-dioxane.

Molecular Properties

Compound Name5-decoxy-2-phenyl-1,3-dioxane
PubChem CID15077847
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name5-decoxy-2-phenyl-1,3-dioxane
SMILESCCCCCCCCCCOC1COC(c2ccccc2)OC1
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-12-15-21-19-16-22-20(23-17-19)18-13-10-9-11-14-18/h9-11,13-14,19-20H,2-8,12,15-17H2,1H3
InChIKeyNCVBROIPVZPARB-UHFFFAOYSA-N
XLogP5.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.47
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane
CID 59848177
(4aR,6R,8aS)-6-octoxy-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine
CID 102020103
4-(dodecoxymethyl)-2-phenyl-1,3-dioxolane
CID 70507208
5-(decoxymethyl)-5-methyl-2-phenyl-1,3-dioxane
CID 166060654
2-[[(4aR,6R,7R,8S,8aS)-7-(2-aminoethoxy)-6-decoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]ethanamine
CID 102193452
4-hexyl-2-phenyl-1,3-dioxolane
CID 13289082
2-phenyl-5-prop-2-ynoxy-1,3-dioxane
CID 134275643
N-[(2S,4aS,6R,7R,8S,8aR)-6-hexadecoxy-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 95371837
(4S)-4-(hexadecoxymethyl)-2-phenyl-1,3-dioxane
CID 11475618
5-(4-butylphenyl)-2-phenyl-1,3-dioxane
CID 141451860
2-(4-butoxyphenyl)-5-heptyl-1,3-dioxane
CID 12924962
5-(hexadecoxymethyl)-5-[(4-methoxyphenyl)methoxymethyl]-2-phenyl-1,3-dioxane
CID 101060339

Frequently Asked Questions

What is the IUPAC name of 5-decoxy-2-phenyl-1,3-dioxane?
The IUPAC name of 5-decoxy-2-phenyl-1,3-dioxane (CID 15077847) is 5-decoxy-2-phenyl-1,3-dioxane.
What is the SMILES notation for 5-decoxy-2-phenyl-1,3-dioxane?
The canonical SMILES for 5-decoxy-2-phenyl-1,3-dioxane is CCCCCCCCCCOC1COC(c2ccccc2)OC1.
What is the InChIKey of 5-decoxy-2-phenyl-1,3-dioxane?
The InChIKey is NCVBROIPVZPARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-12-15-21-19-16-22-20(23-17-19)18-13-10-9-11-14-18/h9-11,13-14,19-20H,2-8,12,15-17H2,1H3.
What are the key properties of 5-decoxy-2-phenyl-1,3-dioxane?
5-decoxy-2-phenyl-1,3-dioxane has a molecular weight of 320.47 g/mol, XLogP of 5.26, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decoxy-2-phenyl-1,3-dioxane is sourced from PubChem (CID 15077847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).