oct-2-ene;hydrochloride

C8H17Cl — CID 86744102

IUPACoct-2-ene;hydrochloride
SMILESCC=CCCCCC.Cl
InChIInChI=1S/C8H16.ClH/c1-3-5-7-8-6-4-2;/h3,5H,4,6-8H2,1-2H3;1H
InChIKeySXRRGQVUFIKIJD-UHFFFAOYSA-N
MW148.68 g/mol
LogP3.56
Rot. Bonds4

About oct-2-ene;hydrochloride

oct-2-ene;hydrochloride (PubChem CID 86744102) has the molecular formula C8H17Cl and a molecular weight of 148.68 g/mol. Its IUPAC name is oct-2-ene;hydrochloride.

Molecular Properties

Compound Nameoct-2-ene;hydrochloride
PubChem CID86744102
Molecular FormulaC8H17Cl
Molecular Weight148.68 g/mol
Exact Mass148.10
IUPAC Nameoct-2-ene;hydrochloride
SMILESCC=CCCCCC.Cl
InChIInChI=1S/C8H16.ClH/c1-3-5-7-8-6-4-2;/h3,5H,4,6-8H2,1-2H3;1H
InChIKeySXRRGQVUFIKIJD-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.68
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-oct-2-ene
CID 5356796
(Z)-icos-2-ene
CID 5352524
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
pentadeca-2,6-diene
CID 165019979
sodium;hydride;octadec-2-ene
CID 175594563
(2Z,6E)-dodeca-2,6-diene;palladium
CID 158734810
pentadeca-2,10-diene
CID 174048350
hexane;(Z)-hex-2-ene
CID 159343029
formic acid;oct-2-ene
CID 159391664
(Z)-dodec-2-ene;propan-2-one
CID 175013676
(2E,7E)-dodeca-2,7-diene
CID 173295735

Frequently Asked Questions

What is the IUPAC name of oct-2-ene;hydrochloride?
The IUPAC name of oct-2-ene;hydrochloride (CID 86744102) is oct-2-ene;hydrochloride.
What is the SMILES notation for oct-2-ene;hydrochloride?
The canonical SMILES for oct-2-ene;hydrochloride is CC=CCCCCC.Cl.
What is the InChIKey of oct-2-ene;hydrochloride?
The InChIKey is SXRRGQVUFIKIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.ClH/c1-3-5-7-8-6-4-2;/h3,5H,4,6-8H2,1-2H3;1H.
What are the key properties of oct-2-ene;hydrochloride?
oct-2-ene;hydrochloride has a molecular weight of 148.68 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for oct-2-ene;hydrochloride is sourced from PubChem (CID 86744102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).