(E)-dodec-5-en-7-yne

C12H20 — CID 5358334

IUPAC(E)-dodec-5-en-7-yne
SMILESCCCCC#C/C=C/CCCC
InChIInChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h9,11H,3-8H2,1-2H3/b11-9+
InChIKeyRAWCIZOYSXHPJN-PKNBQFBNSA-N
MW164.29 g/mol
LogP3.93
Rot. Bonds5

About (E)-dodec-5-en-7-yne

(E)-dodec-5-en-7-yne (PubChem CID 5358334) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (E)-dodec-5-en-7-yne.

Molecular Properties

Compound Name(E)-dodec-5-en-7-yne
PubChem CID5358334
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(E)-dodec-5-en-7-yne
SMILESCCCCC#C/C=C/CCCC
InChIInChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h9,11H,3-8H2,1-2H3/b11-9+
InChIKeyRAWCIZOYSXHPJN-PKNBQFBNSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Octene
CID 5364448
trans-5-Decene
CID 637820
Pentylene
CID 32932
1-Pentene 2-pentene
CID 19097016
cis-2-Octene
CID 5356796
3-Nonene, (3Z)-
CID 5364453
4-Octene, (4E)-
CID 5357253
trans-3-Octene
CID 638228
(Z)-3-Octene
CID 5362722
3-Nonene, (3E)-
CID 5364445
5-Undecene, (5E)-
CID 5364447
(4E)-4-Decene
CID 5364458

Frequently Asked Questions

What is the IUPAC name of (E)-dodec-5-en-7-yne?
The IUPAC name of (E)-dodec-5-en-7-yne (CID 5358334) is (E)-dodec-5-en-7-yne.
What is the SMILES notation for (E)-dodec-5-en-7-yne?
The canonical SMILES for (E)-dodec-5-en-7-yne is CCCCC#C/C=C/CCCC.
What is the InChIKey of (E)-dodec-5-en-7-yne?
The InChIKey is RAWCIZOYSXHPJN-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H20/c1-3-5-7-9-11-12-10-8-6-4-2/h9,11H,3-8H2,1-2H3/b11-9+.
What are the key properties of (E)-dodec-5-en-7-yne?
(E)-dodec-5-en-7-yne has a molecular weight of 164.29 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-dodec-5-en-7-yne is sourced from PubChem (CID 5358334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).