2-pentadecyl-1,4-dioxane

C19H38O2 — CID 150124188

IUPAC2-pentadecyl-1,4-dioxane
SMILESCCCCCCCCCCCCCCCC1COCCO1
InChIInChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-18-20-16-17-21-19/h19H,2-18H2,1H3
InChIKeyDZWLVNBQLASIKV-UHFFFAOYSA-N
MW298.51 g/mol
LogP5.88
Rot. Bonds14

About 2-pentadecyl-1,4-dioxane

2-pentadecyl-1,4-dioxane (PubChem CID 150124188) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-pentadecyl-1,4-dioxane.

Molecular Properties

Compound Name2-pentadecyl-1,4-dioxane
PubChem CID150124188
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name2-pentadecyl-1,4-dioxane
SMILESCCCCCCCCCCCCCCCC1COCCO1
InChIInChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-18-20-16-17-21-19/h19H,2-18H2,1H3
InChIKeyDZWLVNBQLASIKV-UHFFFAOYSA-N
XLogP5.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane
CID 122553688
2-hexadecyloxirane;oxirane
CID 175319175
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-tetratetracontyloxirane
CID 102093754
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;tetradecane
CID 174899291
(2R)-2-pentyloxirane
CID 11147691
(17-dodecyl-1,4,7,10,13,16,19,22-octaoxacyclotetracos-2-yl)methyl hexadecanoate
CID 164608718
2-octadecyloxetane
CID 168986267

Frequently Asked Questions

What is the IUPAC name of 2-pentadecyl-1,4-dioxane?
The IUPAC name of 2-pentadecyl-1,4-dioxane (CID 150124188) is 2-pentadecyl-1,4-dioxane.
What is the SMILES notation for 2-pentadecyl-1,4-dioxane?
The canonical SMILES for 2-pentadecyl-1,4-dioxane is CCCCCCCCCCCCCCCC1COCCO1.
What is the InChIKey of 2-pentadecyl-1,4-dioxane?
The InChIKey is DZWLVNBQLASIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-18-20-16-17-21-19/h19H,2-18H2,1H3.
What are the key properties of 2-pentadecyl-1,4-dioxane?
2-pentadecyl-1,4-dioxane has a molecular weight of 298.51 g/mol, XLogP of 5.88, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentadecyl-1,4-dioxane is sourced from PubChem (CID 150124188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).