1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol

C18H36O2 — CID 115838780

IUPAC1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol
SMILESCCCCCCCCCC(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H36O2/c1-6-7-8-9-10-11-12-13-16(19)15-14-17(2,3)20-18(15,4)5/h15-16,19H,6-14H2,1-5H3
InChIKeyVMHFTJAAEXLWSL-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.08
Rot. Bonds9

About 1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol

1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol (PubChem CID 115838780) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol
PubChem CID115838780
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol
SMILESCCCCCCCCCC(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H36O2/c1-6-7-8-9-10-11-12-13-16(19)15-14-17(2,3)20-18(15,4)5/h15-16,19H,6-14H2,1-5H3
InChIKeyVMHFTJAAEXLWSL-UHFFFAOYSA-N
XLogP5.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.08
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

3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622050
3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622047
N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine
CID 114623279
1-(dioxiran-3-yl)heptan-1-ol
CID 141086578
3-(oxan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 115838835
3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 105131997
2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114624352
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
CID 10975958
1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622611
1-cyclopropyltetradecan-1-ol
CID 63461268

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol?
The IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol (CID 115838780) is 1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol.
What is the SMILES notation for 1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol?
The canonical SMILES for 1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol is CCCCCCCCCC(O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol?
The InChIKey is VMHFTJAAEXLWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-6-7-8-9-10-11-12-13-16(19)15-14-17(2,3)20-18(15,4)5/h15-16,19H,6-14H2,1-5H3.
What are the key properties of 1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol?
1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol has a molecular weight of 284.48 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol is sourced from PubChem (CID 115838780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).