oxan-2-ylmethanol

C6H12O2 — CID 7524

IUPACoxan-2-ylmethanol
SMILESOCC1CCCCO1
InChIInChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2
InChIKeyROTONRWJLXYJBD-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds1

About oxan-2-ylmethanol

oxan-2-ylmethanol (PubChem CID 7524) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is oxan-2-ylmethanol.

Molecular Properties

Compound Nameoxan-2-ylmethanol
PubChem CID7524
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Nameoxan-2-ylmethanol
SMILESOCC1CCCCO1
InChIInChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2
InChIKeyROTONRWJLXYJBD-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethanol?
The IUPAC name of oxan-2-ylmethanol (CID 7524) is oxan-2-ylmethanol.
What is the SMILES notation for oxan-2-ylmethanol?
The canonical SMILES for oxan-2-ylmethanol is OCC1CCCCO1.
What is the InChIKey of oxan-2-ylmethanol?
The InChIKey is ROTONRWJLXYJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2.
What are the key properties of oxan-2-ylmethanol?
oxan-2-ylmethanol 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 oxan-2-ylmethanol is sourced from PubChem (CID 7524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).