(2-ethyl-3-propyloxiran-2-yl)methanol

C8H16O2 — CID 6551

IUPAC(2-ethyl-3-propyloxiran-2-yl)methanol
SMILESCCCC1OC1(CC)CO
InChIInChI=1S/C8H16O2/c1-3-5-7-8(4-2,6-9)10-7/h7,9H,3-6H2,1-2H3
InChIKeyVSHXAKJGKGGKKE-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.33
Rot. Bonds4

About (2-ethyl-3-propyloxiran-2-yl)methanol

(2-ethyl-3-propyloxiran-2-yl)methanol (PubChem CID 6551) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (2-ethyl-3-propyloxiran-2-yl)methanol.

Molecular Properties

Compound Name(2-ethyl-3-propyloxiran-2-yl)methanol
PubChem CID6551
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(2-ethyl-3-propyloxiran-2-yl)methanol
SMILESCCCC1OC1(CC)CO
InChIInChI=1S/C8H16O2/c1-3-5-7-8(4-2,6-9)10-7/h7,9H,3-6H2,1-2H3
InChIKeyVSHXAKJGKGGKKE-UHFFFAOYSA-N
XLogP1.33
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.33
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 (2-ethyl-3-propyloxiran-2-yl)methanol?
The IUPAC name of (2-ethyl-3-propyloxiran-2-yl)methanol (CID 6551) is (2-ethyl-3-propyloxiran-2-yl)methanol.
What is the SMILES notation for (2-ethyl-3-propyloxiran-2-yl)methanol?
The canonical SMILES for (2-ethyl-3-propyloxiran-2-yl)methanol is CCCC1OC1(CC)CO.
What is the InChIKey of (2-ethyl-3-propyloxiran-2-yl)methanol?
The InChIKey is VSHXAKJGKGGKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-5-7-8(4-2,6-9)10-7/h7,9H,3-6H2,1-2H3.
What are the key properties of (2-ethyl-3-propyloxiran-2-yl)methanol?
(2-ethyl-3-propyloxiran-2-yl)methanol has a molecular weight of 144.21 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3-propyloxiran-2-yl)methanol is sourced from PubChem (CID 6551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).