dodec-5-en-7-yn-4-ol

C12H20O — CID 71331023

IUPACdodec-5-en-7-yn-4-ol
SMILESCCCCC#CC=CC(O)CCC
InChIInChI=1S/C12H20O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h9,11-13H,3-6,10H2,1-2H3
InChIKeyLYBNLRLIWGUZBX-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.90
Rot. Bonds5

About dodec-5-en-7-yn-4-ol

dodec-5-en-7-yn-4-ol (PubChem CID 71331023) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is dodec-5-en-7-yn-4-ol.

Molecular Properties

Compound Namedodec-5-en-7-yn-4-ol
PubChem CID71331023
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Namedodec-5-en-7-yn-4-ol
SMILESCCCCC#CC=CC(O)CCC
InChIInChI=1S/C12H20O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h9,11-13H,3-6,10H2,1-2H3
InChIKeyLYBNLRLIWGUZBX-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

(E)-1,1-diethoxynon-2-en-4-yne
CID 11127544
(E)-non-2-en-4-yne
CID 5367387
4-hydroxyoct-2-enenitrile
CID 71329578
(3Z)-2-methylundeca-1,3-dien-5-yne
CID 102067427
(Z)-dec-3-en-1-yn-5-ol
CID 146163105
(2E,4Z)-undeca-2,4-dien-6-yne
CID 102094475
undec-5-en-4-ol
CID 73071371
(Z)-tetradec-6-en-4,8-diyn-1-ol
CID 100971906
4-hydroxydec-2-enenitrile
CID 73187760
(E)-9-hydroperoxyoctadec-10-en-12-ynoic acid
CID 131850370
(4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol
CID 170250028
dec-2-en-4-yne
CID 54142868

Frequently Asked Questions

What is the IUPAC name of dodec-5-en-7-yn-4-ol?
The IUPAC name of dodec-5-en-7-yn-4-ol (CID 71331023) is dodec-5-en-7-yn-4-ol.
What is the SMILES notation for dodec-5-en-7-yn-4-ol?
The canonical SMILES for dodec-5-en-7-yn-4-ol is CCCCC#CC=CC(O)CCC.
What is the InChIKey of dodec-5-en-7-yn-4-ol?
The InChIKey is LYBNLRLIWGUZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h9,11-13H,3-6,10H2,1-2H3.
What are the key properties of dodec-5-en-7-yn-4-ol?
dodec-5-en-7-yn-4-ol has a molecular weight of 180.29 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-5-en-7-yn-4-ol is sourced from PubChem (CID 71331023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).