ethanol;oxan-2-ylmethanol

C8H18O3 — CID 66900182

IUPACethanol;oxan-2-ylmethanol
SMILESCCO.OCC1CCCCO1
InChIInChI=1S/C6H12O2.C2H6O/c7-5-6-3-1-2-4-8-6;1-2-3/h6-7H,1-5H2;3H,2H2,1H3
InChIKeyQATQCLKJAONXRN-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.55
Rot. Bonds1

About ethanol;oxan-2-ylmethanol

ethanol;oxan-2-ylmethanol (PubChem CID 66900182) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is ethanol;oxan-2-ylmethanol.

Molecular Properties

Compound Nameethanol;oxan-2-ylmethanol
PubChem CID66900182
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Nameethanol;oxan-2-ylmethanol
SMILESCCO.OCC1CCCCO1
InChIInChI=1S/C6H12O2.C2H6O/c7-5-6-3-1-2-4-8-6;1-2-3/h6-7H,1-5H2;3H,2H2,1H3
InChIKeyQATQCLKJAONXRN-UHFFFAOYSA-N
XLogP0.55
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-oxan-2-yl]methanol
CID 6950811
ethane;[(2S)-oxan-2-yl]methanol;hydrate
CID 168916263
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
methylcyclohexane;oxan-2-ylmethanol
CID 143263270
oxolan-2-ylmethanol;hydrochloride
CID 155166529
hydron;oxolan-2-ylmethanol
CID 174439667
ethane;methanol;2-methyloxane;oxan-2-ylmethanol
CID 159746076
calcium;hydride;oxolan-2-ylmethanol
CID 173198677
oxane;oxolan-2-ylmethanol
CID 70368060
2-ethoxyoxolane;oxolan-2-ylmethanol
CID 160542333
2-ethoxyethanol;oxolan-2-ylmethanol
CID 70426292
carbonochloridic acid;oxolan-2-ylmethanol
CID 161118728

Frequently Asked Questions

What is the IUPAC name of ethanol;oxan-2-ylmethanol?
The IUPAC name of ethanol;oxan-2-ylmethanol (CID 66900182) is ethanol;oxan-2-ylmethanol.
What is the SMILES notation for ethanol;oxan-2-ylmethanol?
The canonical SMILES for ethanol;oxan-2-ylmethanol is CCO.OCC1CCCCO1.
What is the InChIKey of ethanol;oxan-2-ylmethanol?
The InChIKey is QATQCLKJAONXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C2H6O/c7-5-6-3-1-2-4-8-6;1-2-3/h6-7H,1-5H2;3H,2H2,1H3.
What are the key properties of ethanol;oxan-2-ylmethanol?
ethanol;oxan-2-ylmethanol has a molecular weight of 162.23 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;oxan-2-ylmethanol is sourced from PubChem (CID 66900182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).