[(2S)-oxan-2-yl]methanol

C6H12O2 — CID 6950811

IUPAC[(2S)-oxan-2-yl]methanol
SMILESOC[C@@H]1CCCCO1
InChIInChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2/t6-/m0/s1
InChIKeyROTONRWJLXYJBD-LURJTMIESA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds1

About [(2S)-oxan-2-yl]methanol

[(2S)-oxan-2-yl]methanol (PubChem CID 6950811) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is [(2S)-oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-oxan-2-yl]methanol
PubChem CID6950811
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name[(2S)-oxan-2-yl]methanol
SMILESOC[C@@H]1CCCCO1
InChIInChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2/t6-/m0/s1
InChIKeyROTONRWJLXYJBD-LURJTMIESA-N
XLogP0.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S)-oxan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethanol;oxan-2-ylmethanol
CID 66900182
ethane;[(2S)-oxan-2-yl]methanol;hydrate
CID 168916263
hydron;oxolan-2-ylmethanol
CID 174439667
oxolan-2-ylmethanol;hydrochloride
CID 155166529
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
calcium;hydride;oxolan-2-ylmethanol
CID 173198677
methylcyclohexane;oxan-2-ylmethanol
CID 143263270
oxane;oxolan-2-ylmethanol
CID 70368060
ethane;methanol;2-methyloxane;oxan-2-ylmethanol
CID 159746076
carbonochloridic acid;oxolan-2-ylmethanol
CID 161118728
2-(oxan-2-ylmethyl)oxane
CID 67860654
2-ethoxyoxolane;oxolan-2-ylmethanol
CID 160542333

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxan-2-yl]methanol?
The IUPAC name of [(2S)-oxan-2-yl]methanol (CID 6950811) is [(2S)-oxan-2-yl]methanol.
What is the SMILES notation for [(2S)-oxan-2-yl]methanol?
The canonical SMILES for [(2S)-oxan-2-yl]methanol is OC[C@@H]1CCCCO1.
What is the InChIKey of [(2S)-oxan-2-yl]methanol?
The InChIKey is ROTONRWJLXYJBD-LURJTMIESA-N. The full InChI is InChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2/t6-/m0/s1.
What are the key properties of [(2S)-oxan-2-yl]methanol?
[(2S)-oxan-2-yl]methanol has a molecular weight of 116.16 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxan-2-yl]methanol is sourced from PubChem (CID 6950811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).