(3-propyloxiran-2-yl)methanol

C6H12O2 — CID 543565

IUPAC(3-propyloxiran-2-yl)methanol
SMILESCCCC1OC1CO
InChIInChI=1S/C6H12O2/c1-2-3-5-6(4-7)8-5/h5-7H,2-4H2,1H3
InChIKeyIGRZECZSICIWJA-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds3

About (3-propyloxiran-2-yl)methanol

(3-propyloxiran-2-yl)methanol (PubChem CID 543565) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (3-propyloxiran-2-yl)methanol.

Molecular Properties

Compound Name(3-propyloxiran-2-yl)methanol
PubChem CID543565
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(3-propyloxiran-2-yl)methanol
SMILESCCCC1OC1CO
InChIInChI=1S/C6H12O2/c1-2-3-5-6(4-7)8-5/h5-7H,2-4H2,1H3
InChIKeyIGRZECZSICIWJA-UHFFFAOYSA-N
XLogP0.55
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.55
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 (3-propyloxiran-2-yl)methanol?
The IUPAC name of (3-propyloxiran-2-yl)methanol (CID 543565) is (3-propyloxiran-2-yl)methanol.
What is the SMILES notation for (3-propyloxiran-2-yl)methanol?
The canonical SMILES for (3-propyloxiran-2-yl)methanol is CCCC1OC1CO.
What is the InChIKey of (3-propyloxiran-2-yl)methanol?
The InChIKey is IGRZECZSICIWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-2-3-5-6(4-7)8-5/h5-7H,2-4H2,1H3.
What are the key properties of (3-propyloxiran-2-yl)methanol?
(3-propyloxiran-2-yl)methanol has a molecular weight of 116.16 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyloxiran-2-yl)methanol is sourced from PubChem (CID 543565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).