3-undecyldioxolan-3-ol

C14H28O3 — CID 88690671

IUPAC3-undecyldioxolan-3-ol
SMILESCCCCCCCCCCCC1(O)CCOO1
InChIInChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-14(15)12-13-16-17-14/h15H,2-13H2,1H3
InChIKeyMTHGEJUBQQRAOL-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.95
Rot. Bonds10

About 3-undecyldioxolan-3-ol

3-undecyldioxolan-3-ol (PubChem CID 88690671) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 3-undecyldioxolan-3-ol.

Molecular Properties

Compound Name3-undecyldioxolan-3-ol
PubChem CID88690671
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name3-undecyldioxolan-3-ol
SMILESCCCCCCCCCCCC1(O)CCOO1
InChIInChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-14(15)12-13-16-17-14/h15H,2-13H2,1H3
InChIKeyMTHGEJUBQQRAOL-UHFFFAOYSA-N
XLogP3.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-pentyloxan-2-ol
CID 10035063
1-heptadecylcyclopropan-1-ol
CID 2802251
4-pentyloxan-4-ol
CID 65145510
2-hexyl-oxacyclotridecan-2-ol;2-hydroxyethyl(trimethyl)azanium
CID 70387033
3-heptyl-2-methyloxolan-3-ol
CID 82718796
3-octyloxan-3-ol
CID 65148950
4-dodecyloxepan-4-ol
CID 65151403
2-(2-pentadecyloctadecyl)oxetan-2-ol
CID 69327091
(4-octyloxan-4-yl)methanol
CID 66024090
1-octadecylcyclohexan-1-ol
CID 67204292
1-heptylcycloheptan-1-ol
CID 57057960
2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432

Frequently Asked Questions

What is the IUPAC name of 3-undecyldioxolan-3-ol?
The IUPAC name of 3-undecyldioxolan-3-ol (CID 88690671) is 3-undecyldioxolan-3-ol.
What is the SMILES notation for 3-undecyldioxolan-3-ol?
The canonical SMILES for 3-undecyldioxolan-3-ol is CCCCCCCCCCCC1(O)CCOO1.
What is the InChIKey of 3-undecyldioxolan-3-ol?
The InChIKey is MTHGEJUBQQRAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-14(15)12-13-16-17-14/h15H,2-13H2,1H3.
What are the key properties of 3-undecyldioxolan-3-ol?
3-undecyldioxolan-3-ol has a molecular weight of 244.37 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undecyldioxolan-3-ol is sourced from PubChem (CID 88690671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).