8-chlorooct-1-ene

C8H15Cl — CID 11344097

IUPAC8-chlorooct-1-ene
SMILESC=CCCCCCCCl
InChIInChI=1S/C8H15Cl/c1-2-3-4-5-6-7-8-9/h2H,1,3-8H2
InChIKeyLYNCRGYDKRNBAB-UHFFFAOYSA-N
MW146.66 g/mol
LogP3.36
Rot. Bonds6

About 8-chlorooct-1-ene

8-chlorooct-1-ene (PubChem CID 11344097) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 8-chlorooct-1-ene.

Molecular Properties

Compound Name8-chlorooct-1-ene
PubChem CID11344097
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name8-chlorooct-1-ene
SMILESC=CCCCCCCCl
InChIInChI=1S/C8H15Cl/c1-2-3-4-5-6-7-8-9/h2H,1,3-8H2
InChIKeyLYNCRGYDKRNBAB-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.66
LogP ≤ 53.36
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'}

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Related Compounds

6-Chloro-1-hexene
CID 70233
5-Chloro-1-pentene
CID 523042
11-Chloro-1-undecene
CID 543805
1-Nonene, 9-chloro-
CID 70102
3-Chloro-1-heptene
CID 534251
10-Chlorodec-1-ene
CID 11745139
(1E)-1-chloro-1-octene
CID 12352578
5-Chlorohex-1-ene
CID 14399272
7-Chloro-1-heptene
CID 12955924
3-Chloronon-1-ene
CID 3021823
cis-1-Chloro-1-octene
CID 12352579
3-Chlorodec-1-ene
CID 21423521

Frequently Asked Questions

What is the IUPAC name of 8-chlorooct-1-ene?
The IUPAC name of 8-chlorooct-1-ene (CID 11344097) is 8-chlorooct-1-ene.
What is the SMILES notation for 8-chlorooct-1-ene?
The canonical SMILES for 8-chlorooct-1-ene is C=CCCCCCCCl.
What is the InChIKey of 8-chlorooct-1-ene?
The InChIKey is LYNCRGYDKRNBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-2-3-4-5-6-7-8-9/h2H,1,3-8H2.
What are the key properties of 8-chlorooct-1-ene?
8-chlorooct-1-ene has a molecular weight of 146.66 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chlorooct-1-ene is sourced from PubChem (CID 11344097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).