[(E)-8-chlorooct-7-enyl] acetate

C10H17ClO2 — CID 10856619

IUPAC[(E)-8-chlorooct-7-enyl] acetate
SMILESCC(=O)OCCCCCC/C=C/Cl
InChIInChI=1S/C10H17ClO2/c1-10(12)13-9-7-5-3-2-4-6-8-11/h6,8H,2-5,7,9H2,1H3/b8-6+
InChIKeyBWTGVFPZPMLWFT-SOFGYWHQSA-N
MW204.70 g/mol
LogP3.25
Rot. Bonds7

About [(E)-8-chlorooct-7-enyl] acetate

[(E)-8-chlorooct-7-enyl] acetate (PubChem CID 10856619) has the molecular formula C10H17ClO2 and a molecular weight of 204.70 g/mol. Its IUPAC name is [(E)-8-chlorooct-7-enyl] acetate.

Molecular Properties

Compound Name[(E)-8-chlorooct-7-enyl] acetate
PubChem CID10856619
Molecular FormulaC10H17ClO2
Molecular Weight204.70 g/mol
Exact Mass204.09
IUPAC Name[(E)-8-chlorooct-7-enyl] acetate
SMILESCC(=O)OCCCCCC/C=C/Cl
InChIInChI=1S/C10H17ClO2/c1-10(12)13-9-7-5-3-2-4-6-8-11/h6,8H,2-5,7,9H2,1H3/b8-6+
InChIKeyBWTGVFPZPMLWFT-SOFGYWHQSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(E)-8-chlorooct-7-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

9-Decenyl acetate
CID 39801
10-Undecen-1-yl acetate
CID 61035
Oct-7-enyl acetate
CID 13990525
Non-8-enyl acetate
CID 15673852
9-Decen-1-ol, 1-propanoate
CID 110365
11-Dodecenyl acetate
CID 520717
13-Tetradecen-1-yl acetate
CID 521718
10-Undecen-1-ol, 1-propanoate
CID 96136
3-Chloropropionic acid, 10-undecenyl ester
CID 543975
[(E)-10-chlorodec-6-enyl] acetate
CID 102121416
Chloroacetic acid, 10-undecenyl ester
CID 244467
Dichloroacetic acid, undec-10-enyl ester
CID 543303

Frequently Asked Questions

What is the IUPAC name of [(E)-8-chlorooct-7-enyl] acetate?
The IUPAC name of [(E)-8-chlorooct-7-enyl] acetate (CID 10856619) is [(E)-8-chlorooct-7-enyl] acetate.
What is the SMILES notation for [(E)-8-chlorooct-7-enyl] acetate?
The canonical SMILES for [(E)-8-chlorooct-7-enyl] acetate is CC(=O)OCCCCCC/C=C/Cl.
What is the InChIKey of [(E)-8-chlorooct-7-enyl] acetate?
The InChIKey is BWTGVFPZPMLWFT-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H17ClO2/c1-10(12)13-9-7-5-3-2-4-6-8-11/h6,8H,2-5,7,9H2,1H3/b8-6+.
What are the key properties of [(E)-8-chlorooct-7-enyl] acetate?
[(E)-8-chlorooct-7-enyl] acetate has a molecular weight of 204.70 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-8-chlorooct-7-enyl] acetate is sourced from PubChem (CID 10856619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).