3-chloroprop-1-ene;prop-1-ene;hydrochloride

C6H12Cl2 — CID 173189425

IUPAC3-chloroprop-1-ene;prop-1-ene;hydrochloride
SMILESC=CC.C=CCCl.Cl
InChIInChI=1S/C3H5Cl.C3H6.ClH/c1-2-3-4;1-3-2;/h2H,1,3H2;3H,1H2,2H3;1H
InChIKeySVGRIAYALQXVQE-UHFFFAOYSA-N
MW155.07 g/mol
LogP3.03
Rot. Bonds1

About 3-chloroprop-1-ene;prop-1-ene;hydrochloride

3-chloroprop-1-ene;prop-1-ene;hydrochloride (PubChem CID 173189425) has the molecular formula C6H12Cl2 and a molecular weight of 155.07 g/mol. Its IUPAC name is 3-chloroprop-1-ene;prop-1-ene;hydrochloride.

Molecular Properties

Compound Name3-chloroprop-1-ene;prop-1-ene;hydrochloride
PubChem CID173189425
Molecular FormulaC6H12Cl2
Molecular Weight155.07 g/mol
Exact Mass154.03
IUPAC Name3-chloroprop-1-ene;prop-1-ene;hydrochloride
SMILESC=CC.C=CCCl.Cl
InChIInChI=1S/C3H5Cl.C3H6.ClH/c1-2-3-4;1-3-2;/h2H,1,3H2;3H,1H2,2H3;1H
InChIKeySVGRIAYALQXVQE-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.07
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-chloroprop-1-ene;N-methylmethanamine
CID 19802160
3-chloroprop-1-ene;dimethylsilane
CID 173453388
prop-1-ene;hydrochloride
CID 19097823
3-chloroprop-1-ene;ethoxyethane
CID 88697114
prop-1-ene
CID 162178440
prop-1-ene;prop-2-enylsilane
CID 174483592
ethene;tetrakis(prop-1-ene)
CID 158667737
λ2-plumbane;prop-1-ene
CID 173103273
bis(prop-1-ene);hydrate
CID 21257591
ethane;tetrakis(prop-1-ene)
CID 90918926
azane;tris(prop-1-ene)
CID 173323353
azane;tris(prop-1-ene)
CID 162019717

Frequently Asked Questions

What is the IUPAC name of 3-chloroprop-1-ene;prop-1-ene;hydrochloride?
The IUPAC name of 3-chloroprop-1-ene;prop-1-ene;hydrochloride (CID 173189425) is 3-chloroprop-1-ene;prop-1-ene;hydrochloride.
What is the SMILES notation for 3-chloroprop-1-ene;prop-1-ene;hydrochloride?
The canonical SMILES for 3-chloroprop-1-ene;prop-1-ene;hydrochloride is C=CC.C=CCCl.Cl.
What is the InChIKey of 3-chloroprop-1-ene;prop-1-ene;hydrochloride?
The InChIKey is SVGRIAYALQXVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl.C3H6.ClH/c1-2-3-4;1-3-2;/h2H,1,3H2;3H,1H2,2H3;1H.
What are the key properties of 3-chloroprop-1-ene;prop-1-ene;hydrochloride?
3-chloroprop-1-ene;prop-1-ene;hydrochloride has a molecular weight of 155.07 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroprop-1-ene;prop-1-ene;hydrochloride is sourced from PubChem (CID 173189425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).