oxiran-2-ylmethanol;propane

C6H14O2 — CID 91466926

IUPACoxiran-2-ylmethanol;propane
SMILESCCC.OCC1CO1
InChIInChI=1S/C3H6O2.C3H8/c4-1-3-2-5-3;1-3-2/h3-4H,1-2H2;3H2,1-2H3
InChIKeySLKAWTNOLYRDEQ-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.79
Rot. Bonds1

About oxiran-2-ylmethanol;propane

oxiran-2-ylmethanol;propane (PubChem CID 91466926) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is oxiran-2-ylmethanol;propane.

Molecular Properties

Compound Nameoxiran-2-ylmethanol;propane
PubChem CID91466926
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Nameoxiran-2-ylmethanol;propane
SMILESCCC.OCC1CO1
InChIInChI=1S/C3H6O2.C3H8/c4-1-3-2-5-3;1-3-2/h3-4H,1-2H2;3H2,1-2H3
InChIKeySLKAWTNOLYRDEQ-UHFFFAOYSA-N
XLogP0.79
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

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(5-amino-1,4-dioxan-2-yl)methanol
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bicyclo[2.2.2]octa-1,3,5,7-tetraene;oxiran-2-ylmethanol
CID 23187370
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Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethanol;propane?
The IUPAC name of oxiran-2-ylmethanol;propane (CID 91466926) is oxiran-2-ylmethanol;propane.
What is the SMILES notation for oxiran-2-ylmethanol;propane?
The canonical SMILES for oxiran-2-ylmethanol;propane is CCC.OCC1CO1.
What is the InChIKey of oxiran-2-ylmethanol;propane?
The InChIKey is SLKAWTNOLYRDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C3H8/c4-1-3-2-5-3;1-3-2/h3-4H,1-2H2;3H2,1-2H3.
What are the key properties of oxiran-2-ylmethanol;propane?
oxiran-2-ylmethanol;propane has a molecular weight of 118.18 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethanol;propane is sourced from PubChem (CID 91466926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).