(E)-dodec-7-en-5-yn-1-ol

C12H20O — CID 11074001

IUPAC(E)-dodec-7-en-5-yn-1-ol
SMILESCCCC/C=C/C#CCCCCO
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6,13H,2-4,9-12H2,1H3/b6-5+
InChIKeySMLDOZHEIBNZRN-AATRIKPKSA-N
MW180.29 g/mol
LogP2.90
Rot. Bonds6

About (E)-dodec-7-en-5-yn-1-ol

(E)-dodec-7-en-5-yn-1-ol (PubChem CID 11074001) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (E)-dodec-7-en-5-yn-1-ol.

Molecular Properties

Compound Name(E)-dodec-7-en-5-yn-1-ol
PubChem CID11074001
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(E)-dodec-7-en-5-yn-1-ol
SMILESCCCC/C=C/C#CCCCCO
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6,13H,2-4,9-12H2,1H3/b6-5+
InChIKeySMLDOZHEIBNZRN-AATRIKPKSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

6-Nonen-1-ol, (6Z)-
CID 5362792
5-Decen-1-ol, (5E)-
CID 5283292
5-Octen-1-ol, (5Z)-
CID 5352837
6-Nonen-1-ol, (6E)-
CID 5362811
4-Decenol, (4Z)-
CID 5362798
4-Octen-1-ol, (4Z)-
CID 5352836
5-Decen-1-ol, (5Z)-
CID 5365622
5,10-Pentadecadien-1-ol
CID 6536885
Non-6-en-1-ol
CID 61950
5-Dodecen-1-ol, (5E)-
CID 5365567
Oct-4-en-1-ol
CID 5463444
(E)-non-4-en-1-ol
CID 10855571

Frequently Asked Questions

What is the IUPAC name of (E)-dodec-7-en-5-yn-1-ol?
The IUPAC name of (E)-dodec-7-en-5-yn-1-ol (CID 11074001) is (E)-dodec-7-en-5-yn-1-ol.
What is the SMILES notation for (E)-dodec-7-en-5-yn-1-ol?
The canonical SMILES for (E)-dodec-7-en-5-yn-1-ol is CCCC/C=C/C#CCCCCO.
What is the InChIKey of (E)-dodec-7-en-5-yn-1-ol?
The InChIKey is SMLDOZHEIBNZRN-AATRIKPKSA-N. The full InChI is InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6,13H,2-4,9-12H2,1H3/b6-5+.
What are the key properties of (E)-dodec-7-en-5-yn-1-ol?
(E)-dodec-7-en-5-yn-1-ol has a molecular weight of 180.29 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-dodec-7-en-5-yn-1-ol is sourced from PubChem (CID 11074001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).