methanol;2-propyloxirane

C6H14O2 — CID 19104630

IUPACmethanol;2-propyloxirane
SMILESCCCC1CO1.CO
InChIInChI=1S/C5H10O.CH4O/c1-2-3-5-4-6-5;1-2/h5H,2-4H2,1H3;2H,1H3
InChIKeyQXIDNUSIWXZYQK-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.79
Rot. Bonds2

About methanol;2-propyloxirane

methanol;2-propyloxirane (PubChem CID 19104630) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is methanol;2-propyloxirane.

Molecular Properties

Compound Namemethanol;2-propyloxirane
PubChem CID19104630
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Namemethanol;2-propyloxirane
SMILESCCCC1CO1.CO
InChIInChI=1S/C5H10O.CH4O/c1-2-3-5-4-6-5;1-2/h5H,2-4H2,1H3;2H,1H3
InChIKeyQXIDNUSIWXZYQK-UHFFFAOYSA-N
XLogP0.79
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanol;2-propyloxirane?
The IUPAC name of methanol;2-propyloxirane (CID 19104630) is methanol;2-propyloxirane.
What is the SMILES notation for methanol;2-propyloxirane?
The canonical SMILES for methanol;2-propyloxirane is CCCC1CO1.CO.
What is the InChIKey of methanol;2-propyloxirane?
The InChIKey is QXIDNUSIWXZYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.CH4O/c1-2-3-5-4-6-5;1-2/h5H,2-4H2,1H3;2H,1H3.
What are the key properties of methanol;2-propyloxirane?
methanol;2-propyloxirane has a molecular weight of 118.18 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-propyloxirane is sourced from PubChem (CID 19104630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).