2-ethoxy-3-ethyl-3-prop-2-enoxypent-1-ene

C12H22O2 — CID 10375486

IUPAC2-ethoxy-3-ethyl-3-prop-2-enoxypent-1-ene
SMILESC=CCOC(CC)(CC)C(=C)OCC
InChIInChI=1S/C12H22O2/c1-6-10-14-12(7-2,8-3)11(5)13-9-4/h6H,1,5,7-10H2,2-4H3
InChIKeyHVLNEDJPUVSCCA-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.30
Rot. Bonds8

About 2-ethoxy-3-ethyl-3-prop-2-enoxypent-1-ene

2-ethoxy-3-ethyl-3-prop-2-enoxypent-1-ene (PubChem CID 10375486) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-ethoxy-3-ethyl-3-prop-2-enoxypent-1-ene.

Molecular Properties

Compound Name2-ethoxy-3-ethyl-3-prop-2-enoxypent-1-ene
PubChem CID10375486
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-ethoxy-3-ethyl-3-prop-2-enoxypent-1-ene
SMILESC=CCOC(CC)(CC)C(=C)OCC
InChIInChI=1S/C12H22O2/c1-6-10-14-12(7-2,8-3)11(5)13-9-4/h6H,1,5,7-10H2,2-4H3
InChIKeyHVLNEDJPUVSCCA-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-ethyl-3-prop-2-enoxypent-1-ene?
The IUPAC name of 2-ethoxy-3-ethyl-3-prop-2-enoxypent-1-ene (CID 10375486) is 2-ethoxy-3-ethyl-3-prop-2-enoxypent-1-ene.
What is the SMILES notation for 2-ethoxy-3-ethyl-3-prop-2-enoxypent-1-ene?
The canonical SMILES for 2-ethoxy-3-ethyl-3-prop-2-enoxypent-1-ene is C=CCOC(CC)(CC)C(=C)OCC.
What is the InChIKey of 2-ethoxy-3-ethyl-3-prop-2-enoxypent-1-ene?
The InChIKey is HVLNEDJPUVSCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-6-10-14-12(7-2,8-3)11(5)13-9-4/h6H,1,5,7-10H2,2-4H3.
What are the key properties of 2-ethoxy-3-ethyl-3-prop-2-enoxypent-1-ene?
2-ethoxy-3-ethyl-3-prop-2-enoxypent-1-ene has a molecular weight of 198.31 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-ethyl-3-prop-2-enoxypent-1-ene is sourced from PubChem (CID 10375486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).