3-hexyl-2,2,5,5-tetramethyloxolan-3-ol

C14H28O2 — CID 79928233

IUPAC3-hexyl-2,2,5,5-tetramethyloxolan-3-ol
SMILESCCCCCCC1(O)CC(C)(C)OC1(C)C
InChIInChI=1S/C14H28O2/c1-6-7-8-9-10-14(15)11-12(2,3)16-13(14,4)5/h15H,6-11H2,1-5H3
InChIKeyLJVUWQAPDVGEQQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.67
Rot. Bonds5

About 3-hexyl-2,2,5,5-tetramethyloxolan-3-ol

3-hexyl-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 79928233) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-hexyl-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name3-hexyl-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID79928233
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3-hexyl-2,2,5,5-tetramethyloxolan-3-ol
SMILESCCCCCCC1(O)CC(C)(C)OC1(C)C
InChIInChI=1S/C14H28O2/c1-6-7-8-9-10-14(15)11-12(2,3)16-13(14,4)5/h15H,6-11H2,1-5H3
InChIKeyLJVUWQAPDVGEQQ-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-2,3,3-trimethyloxirane
CID 19373807
azanium;2,2,3-trimethyl-3-octadecyloxirane;chloride
CID 160540589
2-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)acetonitrile
CID 79934497
hexane;1,3,5-trimethylcyclohexane-1,3,5-triol
CID 175548282
1-heptadecylcyclopropan-1-ol
CID 2802251
1-hexyl-1,2,2-trimethylcyclopropane
CID 123520586
(3,3-dimethyl-2-undecyloxiran-2-yl)azanium bromide
CID 141364234
1-decyl-3,3-dimethylcyclohexan-1-ol
CID 65149393
2-dodecyl-2,6,6-trimethyloxane
CID 134843954
2-hexadecyl-2-methyloxirane
CID 87444144
2-methyl-2-nonadecyloxirane
CID 87754306
2-icosyl-2-methyloxirane
CID 87753382

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 3-hexyl-2,2,5,5-tetramethyloxolan-3-ol (CID 79928233) is 3-hexyl-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 3-hexyl-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 3-hexyl-2,2,5,5-tetramethyloxolan-3-ol is CCCCCCC1(O)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-hexyl-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is LJVUWQAPDVGEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-7-8-9-10-14(15)11-12(2,3)16-13(14,4)5/h15H,6-11H2,1-5H3.
What are the key properties of 3-hexyl-2,2,5,5-tetramethyloxolan-3-ol?
3-hexyl-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 228.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 79928233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).