6-(1-chloroethenyl)-2,3-dimethylnon-1-ene

C13H23Cl — CID 167238978

IUPAC6-(1-chloroethenyl)-2,3-dimethylnon-1-ene
SMILESC=C(C)C(C)CCC(CCC)C(=C)Cl
InChIInChI=1S/C13H23Cl/c1-6-7-13(12(5)14)9-8-11(4)10(2)3/h11,13H,2,5-9H2,1,3-4H3
InChIKeyJGSOIDVKYNFQPU-UHFFFAOYSA-N
MW214.78 g/mol
LogP5.15
Rot. Bonds7

About 6-(1-chloroethenyl)-2,3-dimethylnon-1-ene

6-(1-chloroethenyl)-2,3-dimethylnon-1-ene (PubChem CID 167238978) has the molecular formula C13H23Cl and a molecular weight of 214.78 g/mol. Its IUPAC name is 6-(1-chloroethenyl)-2,3-dimethylnon-1-ene.

Molecular Properties

Compound Name6-(1-chloroethenyl)-2,3-dimethylnon-1-ene
PubChem CID167238978
Molecular FormulaC13H23Cl
Molecular Weight214.78 g/mol
Exact Mass214.15
IUPAC Name6-(1-chloroethenyl)-2,3-dimethylnon-1-ene
SMILESC=C(C)C(C)CCC(CCC)C(=C)Cl
InChIInChI=1S/C13H23Cl/c1-6-7-13(12(5)14)9-8-11(4)10(2)3/h11,13H,2,5-9H2,1,3-4H3
InChIKeyJGSOIDVKYNFQPU-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.78
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethylpent-4-en-1-ol
CID 14417455
2,3-dimethyldodec-1-ene;ethane;ethene
CID 144958915
2,3,6,7,10-pentamethyldodec-1-ene;propane
CID 145235190
2,3-dimethylpent-1-ene;ethane
CID 143286891
2,3,7-trimethyloct-1-ene
CID 123245102
(4S)-N,2,3-trimethylhept-1-en-4-amine
CID 174109197
3-fluoro-2,4-dimethylhept-1-ene
CID 145493748
2,3,8-trimethylnona-1,8-diene
CID 155711646
(2R)-2-methylpentanoyl chloride
CID 7160703
3-methylhexane;2-methylprop-1-ene
CID 165405684
6-prop-1-en-2-ylnonan-2-one
CID 143490282
2,3,5-trimethylocta-1,5-diene
CID 123730712

Frequently Asked Questions

What is the IUPAC name of 6-(1-chloroethenyl)-2,3-dimethylnon-1-ene?
The IUPAC name of 6-(1-chloroethenyl)-2,3-dimethylnon-1-ene (CID 167238978) is 6-(1-chloroethenyl)-2,3-dimethylnon-1-ene.
What is the SMILES notation for 6-(1-chloroethenyl)-2,3-dimethylnon-1-ene?
The canonical SMILES for 6-(1-chloroethenyl)-2,3-dimethylnon-1-ene is C=C(C)C(C)CCC(CCC)C(=C)Cl.
What is the InChIKey of 6-(1-chloroethenyl)-2,3-dimethylnon-1-ene?
The InChIKey is JGSOIDVKYNFQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Cl/c1-6-7-13(12(5)14)9-8-11(4)10(2)3/h11,13H,2,5-9H2,1,3-4H3.
What are the key properties of 6-(1-chloroethenyl)-2,3-dimethylnon-1-ene?
6-(1-chloroethenyl)-2,3-dimethylnon-1-ene has a molecular weight of 214.78 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-chloroethenyl)-2,3-dimethylnon-1-ene is sourced from PubChem (CID 167238978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).