3-undecan-5-yldioxolane

C14H28O2 — CID 88733084

IUPAC3-undecan-5-yldioxolane
SMILESCCCCCCC(CCCC)C1CCOO1
InChIInChI=1S/C14H28O2/c1-3-5-7-8-10-13(9-6-4-2)14-11-12-15-16-14/h13-14H,3-12H2,1-2H3
InChIKeyPAYYUTNDTRDNRY-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.48
Rot. Bonds9

About 3-undecan-5-yldioxolane

3-undecan-5-yldioxolane (PubChem CID 88733084) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-undecan-5-yldioxolane.

Molecular Properties

Compound Name3-undecan-5-yldioxolane
PubChem CID88733084
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3-undecan-5-yldioxolane
SMILESCCCCCCC(CCCC)C1CCOO1
InChIInChI=1S/C14H28O2/c1-3-5-7-8-10-13(9-6-4-2)14-11-12-15-16-14/h13-14H,3-12H2,1-2H3
InChIKeyPAYYUTNDTRDNRY-UHFFFAOYSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

6-heptan-3-ylpentaoxocane
CID 139672821
2-dodecan-5-yl-1,3-dioxane
CID 174238614
undecan-5-ylcyclohexane
CID 524419
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
hexadecan-8-ylcyclohexane
CID 91510029
3-tridecan-7-yloxetane
CID 130235812
(2S,3S)-6-decan-4-yl-2-methyloxan-3-ol
CID 134492565
2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane
CID 68619255
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
nonan-3-ylcyclopentane
CID 19893531

Frequently Asked Questions

What is the IUPAC name of 3-undecan-5-yldioxolane?
The IUPAC name of 3-undecan-5-yldioxolane (CID 88733084) is 3-undecan-5-yldioxolane.
What is the SMILES notation for 3-undecan-5-yldioxolane?
The canonical SMILES for 3-undecan-5-yldioxolane is CCCCCCC(CCCC)C1CCOO1.
What is the InChIKey of 3-undecan-5-yldioxolane?
The InChIKey is PAYYUTNDTRDNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-3-5-7-8-10-13(9-6-4-2)14-11-12-15-16-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-undecan-5-yldioxolane?
3-undecan-5-yldioxolane has a molecular weight of 228.38 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undecan-5-yldioxolane is sourced from PubChem (CID 88733084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).