oxane-2,6-diol

C5H10O3 — CID 11040677

IUPACoxane-2,6-diol
SMILESOC1CCCC(O)O1
InChIInChI=1S/C5H10O3/c6-4-2-1-3-5(7)8-4/h4-7H,1-3H2
InChIKeyLXCIMZRBRJKJCJ-UHFFFAOYSA-N
MW118.13 g/mol
LogP-0.18
Rot. Bonds

About oxane-2,6-diol

oxane-2,6-diol (PubChem CID 11040677) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is oxane-2,6-diol.

Molecular Properties

Compound Nameoxane-2,6-diol
PubChem CID11040677
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Nameoxane-2,6-diol
SMILESOC1CCCC(O)O1
InChIInChI=1S/C5H10O3/c6-4-2-1-3-5(7)8-4/h4-7H,1-3H2
InChIKeyLXCIMZRBRJKJCJ-UHFFFAOYSA-N
XLogP-0.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxytetrahydropyran
CID 136505
2-Hydroxytetrahydropyran, (2R)-
CID 643036
2-Hydroxy-4-methyltetrahydropyran
CID 11469063
4-(Tetrahydro-2H-pyran-2-yloxy)-1-butanol
CID 559113
Oxanol
CID 444163
3,5-Dimethyltetrahydro-2H-pyran-2-ol
CID 535881
1-Pentanol, 5-((tetrahydro-2H-pyran-2-yl)oxy)-
CID 559098
3-Methyloxan-2-ol
CID 12724531
3-Tetrahydropyranyloxy-1-propanol
CID 10855766
2H-Pyran-2-ol, tetrahydro-3-iodo-
CID 12000318
Tetrahydro-2H-pyran-2-ylhydroperoxide
CID 12495381
GlyTouCan:G26067AK
CID 22507741

Frequently Asked Questions

What is the IUPAC name of oxane-2,6-diol?
The IUPAC name of oxane-2,6-diol (CID 11040677) is oxane-2,6-diol.
What is the SMILES notation for oxane-2,6-diol?
The canonical SMILES for oxane-2,6-diol is OC1CCCC(O)O1.
What is the InChIKey of oxane-2,6-diol?
The InChIKey is LXCIMZRBRJKJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c6-4-2-1-3-5(7)8-4/h4-7H,1-3H2.
What are the key properties of oxane-2,6-diol?
oxane-2,6-diol has a molecular weight of 118.13 g/mol, XLogP of -0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxane-2,6-diol is sourced from PubChem (CID 11040677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).