2-(3-ethoxypentyl)-3-ethyl-2-propan-2-yloxirane

C14H28O2 — CID 13215874

IUPAC2-(3-ethoxypentyl)-3-ethyl-2-propan-2-yloxirane
SMILESCCOC(CC)CCC1(C(C)C)OC1CC
InChIInChI=1S/C14H28O2/c1-6-12(15-8-3)9-10-14(11(4)5)13(7-2)16-14/h11-13H,6-10H2,1-5H3
InChIKeyQBYBZHGCHOCZDP-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.79
Rot. Bonds8

About 2-(3-ethoxypentyl)-3-ethyl-2-propan-2-yloxirane

2-(3-ethoxypentyl)-3-ethyl-2-propan-2-yloxirane (PubChem CID 13215874) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(3-ethoxypentyl)-3-ethyl-2-propan-2-yloxirane.

Molecular Properties

Compound Name2-(3-ethoxypentyl)-3-ethyl-2-propan-2-yloxirane
PubChem CID13215874
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-(3-ethoxypentyl)-3-ethyl-2-propan-2-yloxirane
SMILESCCOC(CC)CCC1(C(C)C)OC1CC
InChIInChI=1S/C14H28O2/c1-6-12(15-8-3)9-10-14(11(4)5)13(7-2)16-14/h11-13H,6-10H2,1-5H3
InChIKeyQBYBZHGCHOCZDP-UHFFFAOYSA-N
XLogP3.79
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
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-(3-ethoxypentyl)-3-ethyl-2-propan-2-yloxirane?
The IUPAC name of 2-(3-ethoxypentyl)-3-ethyl-2-propan-2-yloxirane (CID 13215874) is 2-(3-ethoxypentyl)-3-ethyl-2-propan-2-yloxirane.
What is the SMILES notation for 2-(3-ethoxypentyl)-3-ethyl-2-propan-2-yloxirane?
The canonical SMILES for 2-(3-ethoxypentyl)-3-ethyl-2-propan-2-yloxirane is CCOC(CC)CCC1(C(C)C)OC1CC.
What is the InChIKey of 2-(3-ethoxypentyl)-3-ethyl-2-propan-2-yloxirane?
The InChIKey is QBYBZHGCHOCZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-12(15-8-3)9-10-14(11(4)5)13(7-2)16-14/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-(3-ethoxypentyl)-3-ethyl-2-propan-2-yloxirane?
2-(3-ethoxypentyl)-3-ethyl-2-propan-2-yloxirane has a molecular weight of 228.38 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypentyl)-3-ethyl-2-propan-2-yloxirane is sourced from PubChem (CID 13215874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).