3-ethoxy-3-(oxiran-2-yl)hexan-2-ol

C10H20O3 — CID 88834091

IUPAC3-ethoxy-3-(oxiran-2-yl)hexan-2-ol
SMILESCCCC(OCC)(C(C)O)C1CO1
InChIInChI=1S/C10H20O3/c1-4-6-10(8(3)11,13-5-2)9-7-12-9/h8-9,11H,4-7H2,1-3H3
InChIKeyOWUVBRCGIUARHP-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.34
Rot. Bonds6

About 3-ethoxy-3-(oxiran-2-yl)hexan-2-ol

3-ethoxy-3-(oxiran-2-yl)hexan-2-ol (PubChem CID 88834091) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-ethoxy-3-(oxiran-2-yl)hexan-2-ol.

Molecular Properties

Compound Name3-ethoxy-3-(oxiran-2-yl)hexan-2-ol
PubChem CID88834091
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-ethoxy-3-(oxiran-2-yl)hexan-2-ol
SMILESCCCC(OCC)(C(C)O)C1CO1
InChIInChI=1S/C10H20O3/c1-4-6-10(8(3)11,13-5-2)9-7-12-9/h8-9,11H,4-7H2,1-3H3
InChIKeyOWUVBRCGIUARHP-UHFFFAOYSA-N
XLogP1.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethoxy-3-(oxiran-2-yl)hexan-2-ol?
The IUPAC name of 3-ethoxy-3-(oxiran-2-yl)hexan-2-ol (CID 88834091) is 3-ethoxy-3-(oxiran-2-yl)hexan-2-ol.
What is the SMILES notation for 3-ethoxy-3-(oxiran-2-yl)hexan-2-ol?
The canonical SMILES for 3-ethoxy-3-(oxiran-2-yl)hexan-2-ol is CCCC(OCC)(C(C)O)C1CO1.
What is the InChIKey of 3-ethoxy-3-(oxiran-2-yl)hexan-2-ol?
The InChIKey is OWUVBRCGIUARHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-6-10(8(3)11,13-5-2)9-7-12-9/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 3-ethoxy-3-(oxiran-2-yl)hexan-2-ol?
3-ethoxy-3-(oxiran-2-yl)hexan-2-ol has a molecular weight of 188.27 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-(oxiran-2-yl)hexan-2-ol is sourced from PubChem (CID 88834091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).