2-(oxan-3-yl)ethanol

C7H14O2 — CID 55264768

IUPAC2-(oxan-3-yl)ethanol
SMILESOCCC1CCCOC1
InChIInChI=1S/C7H14O2/c8-4-3-7-2-1-5-9-6-7/h7-8H,1-6H2
InChIKeyYEQNKCUQFRSBHF-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.80
Rot. Bonds2

About 2-(oxan-3-yl)ethanol

2-(oxan-3-yl)ethanol (PubChem CID 55264768) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(oxan-3-yl)ethanol.

Molecular Properties

Compound Name2-(oxan-3-yl)ethanol
PubChem CID55264768
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-(oxan-3-yl)ethanol
SMILESOCCC1CCCOC1
InChIInChI=1S/C7H14O2/c8-4-3-7-2-1-5-9-6-7/h7-8H,1-6H2
InChIKeyYEQNKCUQFRSBHF-UHFFFAOYSA-N
XLogP0.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Oxan-4-yl)methanol
CID 2773573
(2-Methyloxan-4-yl)methanol
CID 22235159
3-(Oxan-4-yl)propan-1-ol
CID 22272891
1-(2-Methyloxan-4-yl)ethan-1-ol
CID 66439369
rac-[(2R,4S)-2-methyloxan-4-yl]methanol
CID 97010852
(2S)-2-fluoro-3-(oxan-4-yl)propan-1-ol
CID 129375611
3-(Oxan-4-yl)pentane-1,5-diol
CID 142475383
2-Fluoro-3-(oxan-4-yl)propan-1-ol
CID 84021233
(3-Fluorooxan-4-yl)methanol
CID 84648216
2-Fluoro-2-(oxan-3-yl)ethanol
CID 105429206
2,2-Difluoro-2-(oxan-3-yl)ethan-1-ol
CID 105432926
[(3S,4R)-3-fluorooxan-4-yl]methanol
CID 105531215

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)ethanol?
The IUPAC name of 2-(oxan-3-yl)ethanol (CID 55264768) is 2-(oxan-3-yl)ethanol.
What is the SMILES notation for 2-(oxan-3-yl)ethanol?
The canonical SMILES for 2-(oxan-3-yl)ethanol is OCCC1CCCOC1.
What is the InChIKey of 2-(oxan-3-yl)ethanol?
The InChIKey is YEQNKCUQFRSBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c8-4-3-7-2-1-5-9-6-7/h7-8H,1-6H2.
What are the key properties of 2-(oxan-3-yl)ethanol?
2-(oxan-3-yl)ethanol has a molecular weight of 130.19 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)ethanol is sourced from PubChem (CID 55264768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).