2-methyloxolane-2,5-diol

C5H10O3 — CID 53403187

IUPAC2-methyloxolane-2,5-diol
SMILESCC1(O)CCC(O)O1
InChIInChI=1S/C5H10O3/c1-5(7)3-2-4(6)8-5/h4,6-7H,2-3H2,1H3
InChIKeyYNIYGUNRBWFVMB-UHFFFAOYSA-N
MW118.13 g/mol
LogP-0.18
Rot. Bonds

About 2-methyloxolane-2,5-diol

2-methyloxolane-2,5-diol (PubChem CID 53403187) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 2-methyloxolane-2,5-diol.

Molecular Properties

Compound Name2-methyloxolane-2,5-diol
PubChem CID53403187
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name2-methyloxolane-2,5-diol
SMILESCC1(O)CCC(O)O1
InChIInChI=1S/C5H10O3/c1-5(7)3-2-4(6)8-5/h4,6-7H,2-3H2,1H3
InChIKeyYNIYGUNRBWFVMB-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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Frequently Asked Questions

What is the IUPAC name of 2-methyloxolane-2,5-diol?
The IUPAC name of 2-methyloxolane-2,5-diol (CID 53403187) is 2-methyloxolane-2,5-diol.
What is the SMILES notation for 2-methyloxolane-2,5-diol?
The canonical SMILES for 2-methyloxolane-2,5-diol is CC1(O)CCC(O)O1.
What is the InChIKey of 2-methyloxolane-2,5-diol?
The InChIKey is YNIYGUNRBWFVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-5(7)3-2-4(6)8-5/h4,6-7H,2-3H2,1H3.
What are the key properties of 2-methyloxolane-2,5-diol?
2-methyloxolane-2,5-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 2-methyloxolane-2,5-diol is sourced from PubChem (CID 53403187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).