dodec-4-ene;ethene

C14H28 — CID 175558519

IUPACdodec-4-ene;ethene
SMILESC=C.CCCC=CCCCCCCC
InChIInChI=1S/C12H24.C2H4/c1-3-5-7-9-11-12-10-8-6-4-2;1-2/h7,9H,3-6,8,10-12H2,1-2H3;1-2H2
InChIKeyXVMBXZVIKWDVOH-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.51
Rot. Bonds8

About dodec-4-ene;ethene

dodec-4-ene;ethene (PubChem CID 175558519) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is dodec-4-ene;ethene.

Molecular Properties

Compound Namedodec-4-ene;ethene
PubChem CID175558519
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Namedodec-4-ene;ethene
SMILESC=C.CCCC=CCCCCCCC
InChIInChI=1S/C12H24.C2H4/c1-3-5-7-9-11-12-10-8-6-4-2;1-2/h7,9H,3-6,8,10-12H2,1-2H3;1-2H2
InChIKeyXVMBXZVIKWDVOH-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.51
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
dodec-4-ene;hydrochloride
CID 175415968
pentadeca-4,8-diene
CID 90864504
ethane;henicos-4-ene;propane
CID 144512101
(E)-hexadec-6-ene
CID 5352260
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
(Z)-tricos-11-ene
CID 5356790
tricosa-4,19-diene
CID 142680711

Frequently Asked Questions

What is the IUPAC name of dodec-4-ene;ethene?
The IUPAC name of dodec-4-ene;ethene (CID 175558519) is dodec-4-ene;ethene.
What is the SMILES notation for dodec-4-ene;ethene?
The canonical SMILES for dodec-4-ene;ethene is C=C.CCCC=CCCCCCCC.
What is the InChIKey of dodec-4-ene;ethene?
The InChIKey is XVMBXZVIKWDVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.C2H4/c1-3-5-7-9-11-12-10-8-6-4-2;1-2/h7,9H,3-6,8,10-12H2,1-2H3;1-2H2.
What are the key properties of dodec-4-ene;ethene?
dodec-4-ene;ethene has a molecular weight of 196.38 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-4-ene;ethene is sourced from PubChem (CID 175558519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).