dodec-4-ene;hydrochloride

C12H25Cl — CID 175415968

IUPACdodec-4-ene;hydrochloride
SMILESCCCC=CCCCCCCC.Cl
InChIInChI=1S/C12H24.ClH/c1-3-5-7-9-11-12-10-8-6-4-2;/h7,9H,3-6,8,10-12H2,1-2H3;1H
InChIKeyILACWTPDSGSUBV-UHFFFAOYSA-N
MW204.78 g/mol
LogP5.12
Rot. Bonds8

About dodec-4-ene;hydrochloride

dodec-4-ene;hydrochloride (PubChem CID 175415968) has the molecular formula C12H25Cl and a molecular weight of 204.78 g/mol. Its IUPAC name is dodec-4-ene;hydrochloride.

Molecular Properties

Compound Namedodec-4-ene;hydrochloride
PubChem CID175415968
Molecular FormulaC12H25Cl
Molecular Weight204.78 g/mol
Exact Mass204.16
IUPAC Namedodec-4-ene;hydrochloride
SMILESCCCC=CCCCCCCC.Cl
InChIInChI=1S/C12H24.ClH/c1-3-5-7-9-11-12-10-8-6-4-2;/h7,9H,3-6,8,10-12H2,1-2H3;1H
InChIKeyILACWTPDSGSUBV-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.78
LogP ≤ 55.12
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)-tridec-4-ene
CID 5362712
(Z)-tridec-6-ene;(Z)-undec-4-ene
CID 161365587
henicosa-4,14-diene
CID 91309991
pentadeca-4,8-diene
CID 90864504
dodec-4-ene;ethene
CID 175558519
ethane;henicos-4-ene;propane
CID 144512101
(E)-hexadec-6-ene
CID 5352260
(Z)-tricos-11-ene
CID 5356790
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593

Frequently Asked Questions

What is the IUPAC name of dodec-4-ene;hydrochloride?
The IUPAC name of dodec-4-ene;hydrochloride (CID 175415968) is dodec-4-ene;hydrochloride.
What is the SMILES notation for dodec-4-ene;hydrochloride?
The canonical SMILES for dodec-4-ene;hydrochloride is CCCC=CCCCCCCC.Cl.
What is the InChIKey of dodec-4-ene;hydrochloride?
The InChIKey is ILACWTPDSGSUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.ClH/c1-3-5-7-9-11-12-10-8-6-4-2;/h7,9H,3-6,8,10-12H2,1-2H3;1H.
What are the key properties of dodec-4-ene;hydrochloride?
dodec-4-ene;hydrochloride has a molecular weight of 204.78 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-4-ene;hydrochloride is sourced from PubChem (CID 175415968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).