ethane;(5Z)-hepta-1,5-diene;hydrochloride

C9H19Cl — CID 143911102

IUPACethane;(5Z)-hepta-1,5-diene;hydrochloride
SMILESC=CCC/C=C\C.CC.Cl
InChIInChI=1S/C7H12.C2H6.ClH/c1-3-5-7-6-4-2;1-2;/h3-4,6H,1,5,7H2,2H3;1-2H3;1H/b6-4-;;
InChIKeyBCFUWVJIKXBKPH-XFUGJFOESA-N
MW162.70 g/mol
LogP3.98
Rot. Bonds3

About ethane;(5Z)-hepta-1,5-diene;hydrochloride

ethane;(5Z)-hepta-1,5-diene;hydrochloride (PubChem CID 143911102) has the molecular formula C9H19Cl and a molecular weight of 162.70 g/mol. Its IUPAC name is ethane;(5Z)-hepta-1,5-diene;hydrochloride.

Molecular Properties

Compound Nameethane;(5Z)-hepta-1,5-diene;hydrochloride
PubChem CID143911102
Molecular FormulaC9H19Cl
Molecular Weight162.70 g/mol
Exact Mass162.12
IUPAC Nameethane;(5Z)-hepta-1,5-diene;hydrochloride
SMILESC=CCC/C=C\C.CC.Cl
InChIInChI=1S/C7H12.C2H6.ClH/c1-3-5-7-6-4-2;1-2;/h3-4,6H,1,5,7H2,2H3;1-2H3;1H/b6-4-;;
InChIKeyBCFUWVJIKXBKPH-XFUGJFOESA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.70
LogP ≤ 53.98
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

(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721
hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
CID 154144745
(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215
(5E)-deca-1,5,9-triene
CID 5362636
but-3-en-1-ol;(E)-pent-3-en-1-ol
CID 88803615
1-chloroprop-1-ene;hexa-1,5-diene
CID 174915187
bis(pent-1-ene);pent-2-ene
CID 158608078
(5E)-nona-1,5-diene
CID 6429608
(5Z,9E)-dodeca-1,5,9-triene
CID 173147853
CID 173034653
CID 173034653
6-methyldeca-1,5,8-triene
CID 150645087
dodeca-1,4,10-triene
CID 174048310

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-hepta-1,5-diene;hydrochloride?
The IUPAC name of ethane;(5Z)-hepta-1,5-diene;hydrochloride (CID 143911102) is ethane;(5Z)-hepta-1,5-diene;hydrochloride.
What is the SMILES notation for ethane;(5Z)-hepta-1,5-diene;hydrochloride?
The canonical SMILES for ethane;(5Z)-hepta-1,5-diene;hydrochloride is C=CCC/C=C\C.CC.Cl.
What is the InChIKey of ethane;(5Z)-hepta-1,5-diene;hydrochloride?
The InChIKey is BCFUWVJIKXBKPH-XFUGJFOESA-N. The full InChI is InChI=1S/C7H12.C2H6.ClH/c1-3-5-7-6-4-2;1-2;/h3-4,6H,1,5,7H2,2H3;1-2H3;1H/b6-4-;;.
What are the key properties of ethane;(5Z)-hepta-1,5-diene;hydrochloride?
ethane;(5Z)-hepta-1,5-diene;hydrochloride has a molecular weight of 162.70 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-hepta-1,5-diene;hydrochloride is sourced from PubChem (CID 143911102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).