(3E)-penta-1,3-diene;hydrochloride

C5H9Cl — CID 87892930

IUPAC(3E)-penta-1,3-diene;hydrochloride
SMILESC=C/C=C/C.Cl
InChIInChI=1S/C5H8.ClH/c1-3-5-4-2;/h3-5H,1H2,2H3;1H/b5-4+;
InChIKeyXRYGPDLRESCKGP-FXRZFVDSSA-N
MW104.58 g/mol
LogP2.17
Rot. Bonds1

About (3E)-penta-1,3-diene;hydrochloride

(3E)-penta-1,3-diene;hydrochloride (PubChem CID 87892930) has the molecular formula C5H9Cl and a molecular weight of 104.58 g/mol. Its IUPAC name is (3E)-penta-1,3-diene;hydrochloride.

Molecular Properties

Compound Name(3E)-penta-1,3-diene;hydrochloride
PubChem CID87892930
Molecular FormulaC5H9Cl
Molecular Weight104.58 g/mol
Exact Mass104.04
IUPAC Name(3E)-penta-1,3-diene;hydrochloride
SMILESC=C/C=C/C.Cl
InChIInChI=1S/C5H8.ClH/c1-3-5-4-2;/h3-5H,1H2,2H3;1H/b5-4+;
InChIKeyXRYGPDLRESCKGP-FXRZFVDSSA-N
XLogP2.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.58
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E)-penta-1,3-diene
CID 71777643
(3E)-penta-1,3-diene;titanium(2+)
CID 22149558
methylsilane;penta-1,3-diene
CID 157171521
penta-1,3-diene;zirconium(2+);dichloride
CID 172770091
carbanide;penta-1,3-diene;titanium(4+);trifluoride
CID 161466579
methane;(3E)-penta-1,3-diene;propane
CID 143129609
2-methylbut-2-ene;(3E)-penta-1,3-diene
CID 6441481
ethane;penta-1,3-diene;propane
CID 143367111
(3Z,5Z,7Z)-nona-1,3,5,7-tetraene
CID 142107370
heptaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tritetracontaene
CID 91440201
pentahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103-dopentacontaene
CID 90936747
pentahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63-dotriacontaene
CID 90694623

Frequently Asked Questions

What is the IUPAC name of (3E)-penta-1,3-diene;hydrochloride?
The IUPAC name of (3E)-penta-1,3-diene;hydrochloride (CID 87892930) is (3E)-penta-1,3-diene;hydrochloride.
What is the SMILES notation for (3E)-penta-1,3-diene;hydrochloride?
The canonical SMILES for (3E)-penta-1,3-diene;hydrochloride is C=C/C=C/C.Cl.
What is the InChIKey of (3E)-penta-1,3-diene;hydrochloride?
The InChIKey is XRYGPDLRESCKGP-FXRZFVDSSA-N. The full InChI is InChI=1S/C5H8.ClH/c1-3-5-4-2;/h3-5H,1H2,2H3;1H/b5-4+;.
What are the key properties of (3E)-penta-1,3-diene;hydrochloride?
(3E)-penta-1,3-diene;hydrochloride has a molecular weight of 104.58 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-penta-1,3-diene;hydrochloride is sourced from PubChem (CID 87892930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).