ethyl 9-chloronon-8-enoate

C11H19ClO2 — CID 57225294

IUPACethyl 9-chloronon-8-enoate
SMILESCCOC(=O)CCCCCCC=CCl
InChIInChI=1S/C11H19ClO2/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h8,10H,2-7,9H2,1H3
InChIKeyWQBURIWZZATCFX-UHFFFAOYSA-N
MW218.72 g/mol
LogP3.64
Rot. Bonds8

About ethyl 9-chloronon-8-enoate

ethyl 9-chloronon-8-enoate (PubChem CID 57225294) has the molecular formula C11H19ClO2 and a molecular weight of 218.72 g/mol. Its IUPAC name is ethyl 9-chloronon-8-enoate.

Molecular Properties

Compound Nameethyl 9-chloronon-8-enoate
PubChem CID57225294
Molecular FormulaC11H19ClO2
Molecular Weight218.72 g/mol
Exact Mass218.11
IUPAC Nameethyl 9-chloronon-8-enoate
SMILESCCOC(=O)CCCCCCC=CCl
InChIInChI=1S/C11H19ClO2/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h8,10H,2-7,9H2,1H3
InChIKeyWQBURIWZZATCFX-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.72
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-chloronon-8-enoate?
The IUPAC name of ethyl 9-chloronon-8-enoate (CID 57225294) is ethyl 9-chloronon-8-enoate.
What is the SMILES notation for ethyl 9-chloronon-8-enoate?
The canonical SMILES for ethyl 9-chloronon-8-enoate is CCOC(=O)CCCCCCC=CCl.
What is the InChIKey of ethyl 9-chloronon-8-enoate?
The InChIKey is WQBURIWZZATCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO2/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h8,10H,2-7,9H2,1H3.
What are the key properties of ethyl 9-chloronon-8-enoate?
ethyl 9-chloronon-8-enoate has a molecular weight of 218.72 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-chloronon-8-enoate is sourced from PubChem (CID 57225294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).