5-[2-(2-ethylhex-5-enoxy)ethoxymethyl]hept-1-ene

C18H34O2 — CID 23572294

IUPAC5-[2-(2-ethylhex-5-enoxy)ethoxymethyl]hept-1-ene
SMILESC=CCCC(CC)COCCOCC(CC)CCC=C
InChIInChI=1S/C18H34O2/c1-5-9-11-17(7-3)15-19-13-14-20-16-18(8-4)12-10-6-2/h5-6,17-18H,1-2,7-16H2,3-4H3
InChIKeyKZDYEKAZDKQHKD-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.00
Rot. Bonds15

About 5-[2-(2-ethylhex-5-enoxy)ethoxymethyl]hept-1-ene

5-[2-(2-ethylhex-5-enoxy)ethoxymethyl]hept-1-ene (PubChem CID 23572294) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 5-[2-(2-ethylhex-5-enoxy)ethoxymethyl]hept-1-ene.

Molecular Properties

Compound Name5-[2-(2-ethylhex-5-enoxy)ethoxymethyl]hept-1-ene
PubChem CID23572294
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name5-[2-(2-ethylhex-5-enoxy)ethoxymethyl]hept-1-ene
SMILESC=CCCC(CC)COCCOCC(CC)CCC=C
InChIInChI=1S/C18H34O2/c1-5-9-11-17(7-3)15-19-13-14-20-16-18(8-4)12-10-6-2/h5-6,17-18H,1-2,7-16H2,3-4H3
InChIKeyKZDYEKAZDKQHKD-UHFFFAOYSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[2-(2-ethylhex-5-enoxy)ethoxymethyl]hept-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethylhex-5-enoxy)ethoxymethyl]hept-1-ene?
The IUPAC name of 5-[2-(2-ethylhex-5-enoxy)ethoxymethyl]hept-1-ene (CID 23572294) is 5-[2-(2-ethylhex-5-enoxy)ethoxymethyl]hept-1-ene.
What is the SMILES notation for 5-[2-(2-ethylhex-5-enoxy)ethoxymethyl]hept-1-ene?
The canonical SMILES for 5-[2-(2-ethylhex-5-enoxy)ethoxymethyl]hept-1-ene is C=CCCC(CC)COCCOCC(CC)CCC=C.
What is the InChIKey of 5-[2-(2-ethylhex-5-enoxy)ethoxymethyl]hept-1-ene?
The InChIKey is KZDYEKAZDKQHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-5-9-11-17(7-3)15-19-13-14-20-16-18(8-4)12-10-6-2/h5-6,17-18H,1-2,7-16H2,3-4H3.
What are the key properties of 5-[2-(2-ethylhex-5-enoxy)ethoxymethyl]hept-1-ene?
5-[2-(2-ethylhex-5-enoxy)ethoxymethyl]hept-1-ene has a molecular weight of 282.47 g/mol, XLogP of 5.00, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethylhex-5-enoxy)ethoxymethyl]hept-1-ene is sourced from PubChem (CID 23572294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).