3-chloronon-2-enyl acetate

C11H19ClO2 — CID 57164228

IUPAC3-chloronon-2-enyl acetate
SMILESCCCCCCC(Cl)=CCOC(C)=O
InChIInChI=1S/C11H19ClO2/c1-3-4-5-6-7-11(12)8-9-14-10(2)13/h8H,3-7,9H2,1-2H3
InChIKeyPQQMNBQXGJLXTP-UHFFFAOYSA-N
MW218.72 g/mol
LogP3.64
Rot. Bonds7

About 3-chloronon-2-enyl acetate

3-chloronon-2-enyl acetate (PubChem CID 57164228) has the molecular formula C11H19ClO2 and a molecular weight of 218.72 g/mol. Its IUPAC name is 3-chloronon-2-enyl acetate.

Molecular Properties

Compound Name3-chloronon-2-enyl acetate
PubChem CID57164228
Molecular FormulaC11H19ClO2
Molecular Weight218.72 g/mol
Exact Mass218.11
IUPAC Name3-chloronon-2-enyl acetate
SMILESCCCCCCC(Cl)=CCOC(C)=O
InChIInChI=1S/C11H19ClO2/c1-3-4-5-6-7-11(12)8-9-14-10(2)13/h8H,3-7,9H2,1-2H3
InChIKeyPQQMNBQXGJLXTP-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

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CID 102248
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CID 6365451
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CID 86882
CID 86882
CID 12807117
CID 12807117
CID 110372
CID 110372
CID 5363207
CID 5363207
CID 110371
CID 110371
CID 6437544
CID 6437544
CID 170040
CID 170040
CID 5363202
CID 5363202
CID 6441593
CID 6441593

Frequently Asked Questions

What is the IUPAC name of 3-chloronon-2-enyl acetate?
The IUPAC name of 3-chloronon-2-enyl acetate (CID 57164228) is 3-chloronon-2-enyl acetate.
What is the SMILES notation for 3-chloronon-2-enyl acetate?
The canonical SMILES for 3-chloronon-2-enyl acetate is CCCCCCC(Cl)=CCOC(C)=O.
What is the InChIKey of 3-chloronon-2-enyl acetate?
The InChIKey is PQQMNBQXGJLXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO2/c1-3-4-5-6-7-11(12)8-9-14-10(2)13/h8H,3-7,9H2,1-2H3.
What are the key properties of 3-chloronon-2-enyl acetate?
3-chloronon-2-enyl acetate has a molecular weight of 218.72 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloronon-2-enyl acetate is sourced from PubChem (CID 57164228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).