methanol;oxolane

C6H16O3 — CID 86594347

IUPACmethanol;oxolane
SMILESC1CCOC1.CO.CO
InChIInChI=1S/C4H8O.2CH4O/c1-2-4-5-3-1;2*1-2/h1-4H2;2*2H,1H3
InChIKeyTZSNRSDBFFRMEM-UHFFFAOYSA-N
MW136.19 g/mol
LogP0.01
Rot. Bonds

About methanol;oxolane

methanol;oxolane (PubChem CID 86594347) has the molecular formula C6H16O3 and a molecular weight of 136.19 g/mol. Its IUPAC name is methanol;oxolane.

Molecular Properties

Compound Namemethanol;oxolane
PubChem CID86594347
Molecular FormulaC6H16O3
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Namemethanol;oxolane
SMILESC1CCOC1.CO.CO
InChIInChI=1S/C4H8O.2CH4O/c1-2-4-5-3-1;2*1-2/h1-4H2;2*2H,1H3
InChIKeyTZSNRSDBFFRMEM-UHFFFAOYSA-N
XLogP0.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methanol;oxolane?
The IUPAC name of methanol;oxolane (CID 86594347) is methanol;oxolane.
What is the SMILES notation for methanol;oxolane?
The canonical SMILES for methanol;oxolane is C1CCOC1.CO.CO.
What is the InChIKey of methanol;oxolane?
The InChIKey is TZSNRSDBFFRMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.2CH4O/c1-2-4-5-3-1;2*1-2/h1-4H2;2*2H,1H3.
What are the key properties of methanol;oxolane?
methanol;oxolane has a molecular weight of 136.19 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;oxolane is sourced from PubChem (CID 86594347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).