(1S)-1-[(2R)-6-ethoxyoxan-2-yl]undecan-1-ol

C18H36O3 — CID 24773219

IUPAC(1S)-1-[(2R)-6-ethoxyoxan-2-yl]undecan-1-ol
SMILESCCCCCCCCCC[C@H](O)[C@H]1CCCC(OCC)O1
InChIInChI=1S/C18H36O3/c1-3-5-6-7-8-9-10-11-13-16(19)17-14-12-15-18(21-17)20-4-2/h16-19H,3-15H2,1-2H3/t16-,17+,18?/m0/s1
InChIKeyRNDYAAXUJGDTPL-MYFVLZFPSA-N
MW300.48 g/mol
LogP4.81
Rot. Bonds12

About (1S)-1-[(2R)-6-ethoxyoxan-2-yl]undecan-1-ol

(1S)-1-[(2R)-6-ethoxyoxan-2-yl]undecan-1-ol (PubChem CID 24773219) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is (1S)-1-[(2R)-6-ethoxyoxan-2-yl]undecan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2R)-6-ethoxyoxan-2-yl]undecan-1-ol
PubChem CID24773219
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name(1S)-1-[(2R)-6-ethoxyoxan-2-yl]undecan-1-ol
SMILESCCCCCCCCCC[C@H](O)[C@H]1CCCC(OCC)O1
InChIInChI=1S/C18H36O3/c1-3-5-6-7-8-9-10-11-13-16(19)17-14-12-15-18(21-17)20-4-2/h16-19H,3-15H2,1-2H3/t16-,17+,18?/m0/s1
InChIKeyRNDYAAXUJGDTPL-MYFVLZFPSA-N
XLogP4.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[(2S,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 11533144
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
1-(5-ethyloxolan-2-yl)tridecan-1-ol
CID 20670075
(1R)-1-[(2S,5R)-5-[(1S)-1-hydroxypentyl]oxolan-2-yl]pentan-1-ol
CID 101238341
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
CID 10975958
(1S,4S)-1-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]-4-[(2S,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butane-1,4-diol
CID 11988735
(1R)-1-[(2S,6R)-6-methoxyoxan-2-yl]ethane-1,2-diol
CID 13108348
(6S)-6-[(1R)-1-hydroxyheptyl]oxan-2-one
CID 102407446

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-6-ethoxyoxan-2-yl]undecan-1-ol?
The IUPAC name of (1S)-1-[(2R)-6-ethoxyoxan-2-yl]undecan-1-ol (CID 24773219) is (1S)-1-[(2R)-6-ethoxyoxan-2-yl]undecan-1-ol.
What is the SMILES notation for (1S)-1-[(2R)-6-ethoxyoxan-2-yl]undecan-1-ol?
The canonical SMILES for (1S)-1-[(2R)-6-ethoxyoxan-2-yl]undecan-1-ol is CCCCCCCCCC[C@H](O)[C@H]1CCCC(OCC)O1.
What is the InChIKey of (1S)-1-[(2R)-6-ethoxyoxan-2-yl]undecan-1-ol?
The InChIKey is RNDYAAXUJGDTPL-MYFVLZFPSA-N. The full InChI is InChI=1S/C18H36O3/c1-3-5-6-7-8-9-10-11-13-16(19)17-14-12-15-18(21-17)20-4-2/h16-19H,3-15H2,1-2H3/t16-,17+,18?/m0/s1.
What are the key properties of (1S)-1-[(2R)-6-ethoxyoxan-2-yl]undecan-1-ol?
(1S)-1-[(2R)-6-ethoxyoxan-2-yl]undecan-1-ol has a molecular weight of 300.48 g/mol, XLogP of 4.81, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-6-ethoxyoxan-2-yl]undecan-1-ol is sourced from PubChem (CID 24773219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).