5-(2-ethylhexoxy)oxan-3-ol

C13H26O3 — CID 126614753

IUPAC5-(2-ethylhexoxy)oxan-3-ol
SMILESCCCCC(CC)COC1COCC(O)C1
InChIInChI=1S/C13H26O3/c1-3-5-6-11(4-2)8-16-13-7-12(14)9-15-10-13/h11-14H,3-10H2,1-2H3
InChIKeyXNHXFZSJQYOVGC-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.37
Rot. Bonds7

About 5-(2-ethylhexoxy)oxan-3-ol

5-(2-ethylhexoxy)oxan-3-ol (PubChem CID 126614753) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-(2-ethylhexoxy)oxan-3-ol.

Molecular Properties

Compound Name5-(2-ethylhexoxy)oxan-3-ol
PubChem CID126614753
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name5-(2-ethylhexoxy)oxan-3-ol
SMILESCCCCC(CC)COC1COCC(O)C1
InChIInChI=1S/C13H26O3/c1-3-5-6-11(4-2)8-16-13-7-12(14)9-15-10-13/h11-14H,3-10H2,1-2H3
InChIKeyXNHXFZSJQYOVGC-UHFFFAOYSA-N
XLogP2.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylhexan-1-ol;5-(2-ethylhexoxy)oxan-3-ol
CID 145261710
[(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol
CID 126614766
2-ethylhexyl 4-(methylamino)oxolane-3-carboxylate
CID 66265491
(3S)-3-[(2R)-2-ethylhexoxy]thiolane 1,1-dioxide
CID 51410709
(2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane
CID 36688279
4-(2-ethylhexylamino)oxolan-3-ol
CID 107820067
(2R)-1-(oxetan-3-yloxy)butan-2-ol
CID 124603359
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
(1R,2S,4R,5S)-2-(2-ethylhexoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
CID 170851239
1-bromo-3-(2-ethylhexoxy)-2-propoxycyclobutane
CID 107942855
(2R,3R,4S,5R)-2-(2-dodecylhexadecoxy)oxane-3,4,5-triol
CID 171369914
1-chloro-3-(2-ethylhexoxy)-2-propoxycyclobutane
CID 114018914

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylhexoxy)oxan-3-ol?
The IUPAC name of 5-(2-ethylhexoxy)oxan-3-ol (CID 126614753) is 5-(2-ethylhexoxy)oxan-3-ol.
What is the SMILES notation for 5-(2-ethylhexoxy)oxan-3-ol?
The canonical SMILES for 5-(2-ethylhexoxy)oxan-3-ol is CCCCC(CC)COC1COCC(O)C1.
What is the InChIKey of 5-(2-ethylhexoxy)oxan-3-ol?
The InChIKey is XNHXFZSJQYOVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-3-5-6-11(4-2)8-16-13-7-12(14)9-15-10-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 5-(2-ethylhexoxy)oxan-3-ol?
5-(2-ethylhexoxy)oxan-3-ol has a molecular weight of 230.35 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylhexoxy)oxan-3-ol is sourced from PubChem (CID 126614753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).