[(E)-2-ethylhept-2-enyl] acetate

C11H20O2 — CID 88547384

IUPAC[(E)-2-ethylhept-2-enyl] acetate
SMILESCCCC/C=C(\CC)COC(C)=O
InChIInChI=1S/C11H20O2/c1-4-6-7-8-11(5-2)9-13-10(3)12/h8H,4-7,9H2,1-3H3/b11-8+
InChIKeyPZNQDYRVYURCDK-DHZHZOJOSA-N
MW184.28 g/mol
LogP3.08
Rot. Bonds6

About [(E)-2-ethylhept-2-enyl] acetate

[(E)-2-ethylhept-2-enyl] acetate (PubChem CID 88547384) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [(E)-2-ethylhept-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-2-ethylhept-2-enyl] acetate
PubChem CID88547384
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[(E)-2-ethylhept-2-enyl] acetate
SMILESCCCC/C=C(\CC)COC(C)=O
InChIInChI=1S/C11H20O2/c1-4-6-7-8-11(5-2)9-13-10(3)12/h8H,4-7,9H2,1-3H3/b11-8+
InChIKeyPZNQDYRVYURCDK-DHZHZOJOSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.08
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 [(E)-2-ethylhept-2-enyl] acetate with MolForge

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

Launch Full Analysis

Related Compounds

[(E)-2-ethylnon-2-enyl] acetate
CID 88547353
[(E)-3-(acetyloxymethyl)pent-2-enyl] acetate
CID 15254391
2-methyldec-2-enyl acetate
CID 123999734
bis[(E)-2-ethylhex-2-enyl] (Z)-but-2-enedioate
CID 11013131
[(E)-3-(acetyloxymethyl)dec-2-enyl] acetate
CID 11086836
[2-(acetyloxymethyl)-4-oxohex-2-enyl] acetate
CID 11195522
(Z)-6-ethylundec-5-ene
CID 102395453
[(Z)-dec-5-enyl] acetate
CID 5363513
[(4E,9E)-tetradeca-4,9-dienyl] acetate
CID 87225023
(E)-1-bromo-2-methylhept-2-ene;prop-2-enyl acetate
CID 162444026
2-methylnon-2-enyl propanoate
CID 5066536
2-methylhept-2-enamide;hydrate
CID 172812574

Frequently Asked Questions

What is the IUPAC name of [(E)-2-ethylhept-2-enyl] acetate?
The IUPAC name of [(E)-2-ethylhept-2-enyl] acetate (CID 88547384) is [(E)-2-ethylhept-2-enyl] acetate.
What is the SMILES notation for [(E)-2-ethylhept-2-enyl] acetate?
The canonical SMILES for [(E)-2-ethylhept-2-enyl] acetate is CCCC/C=C(\CC)COC(C)=O.
What is the InChIKey of [(E)-2-ethylhept-2-enyl] acetate?
The InChIKey is PZNQDYRVYURCDK-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-6-7-8-11(5-2)9-13-10(3)12/h8H,4-7,9H2,1-3H3/b11-8+.
What are the key properties of [(E)-2-ethylhept-2-enyl] acetate?
[(E)-2-ethylhept-2-enyl] acetate has a molecular weight of 184.28 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-ethylhept-2-enyl] acetate is sourced from PubChem (CID 88547384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).