oxan-4-ylmethanol;oxolan-3-ylmethanol

C11H22O4 — CID 159525892

IUPACoxan-4-ylmethanol;oxolan-3-ylmethanol
SMILESOCC1CCOC1.OCC1CCOCC1
InChIInChI=1S/C6H12O2.C5H10O2/c7-5-6-1-3-8-4-2-6;6-3-5-1-2-7-4-5/h6-7H,1-5H2;5-6H,1-4H2
InChIKeyMCJMKPPAWWBJNB-UHFFFAOYSA-N
MW218.29 g/mol
LogP0.42
Rot. Bonds2

About oxan-4-ylmethanol;oxolan-3-ylmethanol

oxan-4-ylmethanol;oxolan-3-ylmethanol (PubChem CID 159525892) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is oxan-4-ylmethanol;oxolan-3-ylmethanol.

Molecular Properties

Compound Nameoxan-4-ylmethanol;oxolan-3-ylmethanol
PubChem CID159525892
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Nameoxan-4-ylmethanol;oxolan-3-ylmethanol
SMILESOCC1CCOC1.OCC1CCOCC1
InChIInChI=1S/C6H12O2.C5H10O2/c7-5-6-1-3-8-4-2-6;6-3-5-1-2-7-4-5/h6-7H,1-5H2;5-6H,1-4H2
InChIKeyMCJMKPPAWWBJNB-UHFFFAOYSA-N
XLogP0.42
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-4-ylmethanol
CID 2773573
dihydroxy(oxo)silane;oxolan-3-ylmethanol
CID 70548598
oxepan-4-ylmethanol
CID 21094265
1,4-dioxepan-6-ylmethanol
CID 67454962
[4-(hydroxymethyl)cyclohexyl]methanol;oxirane
CID 87065906
1-(oxan-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986313
3-(bromomethyl)oxolane
CID 14173422
3-ethyloxolane
CID 10996972
[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]methanol
CID 102670847
2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol
CID 62021134
oxane-3-carbaldehyde;oxan-3-ylmethanol
CID 159628302
(Z)-5-(oxolan-3-yl)pent-3-en-1-ol
CID 117267415

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethanol;oxolan-3-ylmethanol?
The IUPAC name of oxan-4-ylmethanol;oxolan-3-ylmethanol (CID 159525892) is oxan-4-ylmethanol;oxolan-3-ylmethanol.
What is the SMILES notation for oxan-4-ylmethanol;oxolan-3-ylmethanol?
The canonical SMILES for oxan-4-ylmethanol;oxolan-3-ylmethanol is OCC1CCOC1.OCC1CCOCC1.
What is the InChIKey of oxan-4-ylmethanol;oxolan-3-ylmethanol?
The InChIKey is MCJMKPPAWWBJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C5H10O2/c7-5-6-1-3-8-4-2-6;6-3-5-1-2-7-4-5/h6-7H,1-5H2;5-6H,1-4H2.
What are the key properties of oxan-4-ylmethanol;oxolan-3-ylmethanol?
oxan-4-ylmethanol;oxolan-3-ylmethanol has a molecular weight of 218.29 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethanol;oxolan-3-ylmethanol is sourced from PubChem (CID 159525892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).