4-(oxolan-2-ylmethyl)hexadecan-5-ol

C21H42O2 — CID 171637766

IUPAC4-(oxolan-2-ylmethyl)hexadecan-5-ol
SMILESCCCCCCCCCCCC(O)C(CCC)CC1CCCO1
InChIInChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-16-21(22)19(14-4-2)18-20-15-13-17-23-20/h19-22H,3-18H2,1-2H3
InChIKeyOXTRKQIITUNXLF-UHFFFAOYSA-N
MW326.57 g/mol
LogP6.25
Rot. Bonds15

About 4-(oxolan-2-ylmethyl)hexadecan-5-ol

4-(oxolan-2-ylmethyl)hexadecan-5-ol (PubChem CID 171637766) has the molecular formula C21H42O2 and a molecular weight of 326.57 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethyl)hexadecan-5-ol.

Molecular Properties

Compound Name4-(oxolan-2-ylmethyl)hexadecan-5-ol
PubChem CID171637766
Molecular FormulaC21H42O2
Molecular Weight326.57 g/mol
Exact Mass326.32
IUPAC Name4-(oxolan-2-ylmethyl)hexadecan-5-ol
SMILESCCCCCCCCCCCC(O)C(CCC)CC1CCCO1
InChIInChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-16-21(22)19(14-4-2)18-20-15-13-17-23-20/h19-22H,3-18H2,1-2H3
InChIKeyOXTRKQIITUNXLF-UHFFFAOYSA-N
XLogP6.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(oxolan-2-ylmethyl)hexadecan-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(oxolan-2-yl)heptan-2-ol
CID 62606693
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
N-methyl-1-(oxolan-2-yl)decan-2-amine
CID 62600553
N-ethyl-1-(oxolan-2-yl)decan-2-amine
CID 62600159
3-ethyl-1-(oxolan-2-yl)pentan-2-ol
CID 65148329
1-(oxolan-2-yl)heptane-3,4-diol
CID 103454796
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
2-tetradecyloxolane
CID 10683364
4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol
CID 79411600
(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
CID 28879278
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethyl)hexadecan-5-ol?
The IUPAC name of 4-(oxolan-2-ylmethyl)hexadecan-5-ol (CID 171637766) is 4-(oxolan-2-ylmethyl)hexadecan-5-ol.
What is the SMILES notation for 4-(oxolan-2-ylmethyl)hexadecan-5-ol?
The canonical SMILES for 4-(oxolan-2-ylmethyl)hexadecan-5-ol is CCCCCCCCCCCC(O)C(CCC)CC1CCCO1.
What is the InChIKey of 4-(oxolan-2-ylmethyl)hexadecan-5-ol?
The InChIKey is OXTRKQIITUNXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-16-21(22)19(14-4-2)18-20-15-13-17-23-20/h19-22H,3-18H2,1-2H3.
What are the key properties of 4-(oxolan-2-ylmethyl)hexadecan-5-ol?
4-(oxolan-2-ylmethyl)hexadecan-5-ol has a molecular weight of 326.57 g/mol, XLogP of 6.25, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethyl)hexadecan-5-ol is sourced from PubChem (CID 171637766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).