5-dodecyltetraoxolane

C13H26O4 — CID 175434452

IUPAC5-dodecyltetraoxolane
SMILESCCCCCCCCCCCCC1OOOO1
InChIInChI=1S/C13H26O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-17-15-13/h13H,2-12H2,1H3
InChIKeyYBOMTSMFZLSVKU-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.45
Rot. Bonds11

About 5-dodecyltetraoxolane

5-dodecyltetraoxolane (PubChem CID 175434452) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-dodecyltetraoxolane.

Molecular Properties

Compound Name5-dodecyltetraoxolane
PubChem CID175434452
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name5-dodecyltetraoxolane
SMILESCCCCCCCCCCCCC1OOOO1
InChIInChI=1S/C13H26O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-17-15-13/h13H,2-12H2,1H3
InChIKeyYBOMTSMFZLSVKU-UHFFFAOYSA-N
XLogP4.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-diheptyl-1,2,4,5-tetraoxane
CID 10708512
(4S,5R)-2-hexyl-4,5-dimethyl-1,3-dioxolane
CID 76963947
(4S,5S)-2-hexyl-4,5-dimethyl-1,3-dioxolane
CID 76963946
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
2-tetratetracontyloxirane
CID 102093754
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;tetradecane
CID 174899291
2-heptyl-3-octyloxirane
CID 57269313
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821

Frequently Asked Questions

What is the IUPAC name of 5-dodecyltetraoxolane?
The IUPAC name of 5-dodecyltetraoxolane (CID 175434452) is 5-dodecyltetraoxolane.
What is the SMILES notation for 5-dodecyltetraoxolane?
The canonical SMILES for 5-dodecyltetraoxolane is CCCCCCCCCCCCC1OOOO1.
What is the InChIKey of 5-dodecyltetraoxolane?
The InChIKey is YBOMTSMFZLSVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-17-15-13/h13H,2-12H2,1H3.
What are the key properties of 5-dodecyltetraoxolane?
5-dodecyltetraoxolane has a molecular weight of 246.35 g/mol, XLogP of 4.45, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecyltetraoxolane is sourced from PubChem (CID 175434452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).