3-chloronon-1-ene

C9H17Cl — CID 3021823

IUPAC3-chloronon-1-ene
SMILESC=CC(Cl)CCCCCC
InChIInChI=1S/C9H17Cl/c1-3-5-6-7-8-9(10)4-2/h4,9H,2-3,5-8H2,1H3
InChIKeyWQEMCADLIQDYOT-UHFFFAOYSA-N
MW160.69 g/mol
LogP3.75
Rot. Bonds6

About 3-chloronon-1-ene

3-chloronon-1-ene (PubChem CID 3021823) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is 3-chloronon-1-ene.

Molecular Properties

Compound Name3-chloronon-1-ene
PubChem CID3021823
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name3-chloronon-1-ene
SMILESC=CC(Cl)CCCCCC
InChIInChI=1S/C9H17Cl/c1-3-5-6-7-8-9(10)4-2/h4,9H,2-3,5-8H2,1H3
InChIKeyWQEMCADLIQDYOT-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.69
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-chloronon-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

Related Compounds

3-ethenylnon-1-ene
CID 123641938
10-ethenylnonadecane
CID 57244946
(E)-4-chloroundec-2-ene
CID 88753287
ethane;9-ethenylheptadecane;octane
CID 168985515
heptadec-1-en-3-ol
CID 11858939
undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
3-bromoundec-1-ene
CID 15852002
17-chlorotritriacontane
CID 87852962
1,1-dichloroheptane
CID 13184
ethenol;heptadecane
CID 158851930
3,4-dichloro-3-ethenyldodec-1-ene
CID 150880814

Frequently Asked Questions

What is the IUPAC name of 3-chloronon-1-ene?
The IUPAC name of 3-chloronon-1-ene (CID 3021823) is 3-chloronon-1-ene.
What is the SMILES notation for 3-chloronon-1-ene?
The canonical SMILES for 3-chloronon-1-ene is C=CC(Cl)CCCCCC.
What is the InChIKey of 3-chloronon-1-ene?
The InChIKey is WQEMCADLIQDYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl/c1-3-5-6-7-8-9(10)4-2/h4,9H,2-3,5-8H2,1H3.
What are the key properties of 3-chloronon-1-ene?
3-chloronon-1-ene has a molecular weight of 160.69 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloronon-1-ene is sourced from PubChem (CID 3021823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).