hex-3-ene;hydrochloride

C6H13Cl — CID 159012047

IUPAChex-3-ene;hydrochloride
SMILESCCC=CCC.Cl
InChIInChI=1S/C6H12.ClH/c1-3-5-6-4-2;/h5-6H,3-4H2,1-2H3;1H
InChIKeyJSPQQIFBGDSWJZ-UHFFFAOYSA-N
MW120.62 g/mol
LogP2.78
Rot. Bonds2

About hex-3-ene;hydrochloride

hex-3-ene;hydrochloride (PubChem CID 159012047) has the molecular formula C6H13Cl and a molecular weight of 120.62 g/mol. Its IUPAC name is hex-3-ene;hydrochloride.

Molecular Properties

Compound Namehex-3-ene;hydrochloride
PubChem CID159012047
Molecular FormulaC6H13Cl
Molecular Weight120.62 g/mol
Exact Mass120.07
IUPAC Namehex-3-ene;hydrochloride
SMILESCCC=CCC.Cl
InChIInChI=1S/C6H12.ClH/c1-3-5-6-4-2;/h5-6H,3-4H2,1-2H3;1H
InChIKeyJSPQQIFBGDSWJZ-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.62
LogP ≤ 52.78
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

hex-3-ene;sulfane
CID 174453265
(Z)-hex-3-ene;methylazanium
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pentadeca-3,6,9,12-tetraene
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(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
(E)-N,N-dimethylpent-2-en-1-amine;hydrochloride
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(Z)-hex-3-ene
CID 154602918
carbon dioxide;hex-3-ene;hydrate
CID 175552917
(5E)-octa-3,5-diene
CID 173104147
(3E,16E)-nonadeca-3,16-diene
CID 157471321
acetic acid;(Z)-hex-3-ene
CID 87142970

Frequently Asked Questions

What is the IUPAC name of hex-3-ene;hydrochloride?
The IUPAC name of hex-3-ene;hydrochloride (CID 159012047) is hex-3-ene;hydrochloride.
What is the SMILES notation for hex-3-ene;hydrochloride?
The canonical SMILES for hex-3-ene;hydrochloride is CCC=CCC.Cl.
What is the InChIKey of hex-3-ene;hydrochloride?
The InChIKey is JSPQQIFBGDSWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.ClH/c1-3-5-6-4-2;/h5-6H,3-4H2,1-2H3;1H.
What are the key properties of hex-3-ene;hydrochloride?
hex-3-ene;hydrochloride has a molecular weight of 120.62 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-3-ene;hydrochloride is sourced from PubChem (CID 159012047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).