2-dec-3-en-1,5-diynylphenol

C16H16O — CID 71419164

IUPAC2-dec-3-en-1,5-diynylphenol
SMILESCCCCC#CC=CC#Cc1ccccc1O
InChIInChI=1S/C16H16O/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17/h7-8,10-11,13-14,17H,2-4H2,1H3
InChIKeyXAHNEMSFSCQAPB-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.49
Rot. Bonds2

About 2-dec-3-en-1,5-diynylphenol

2-dec-3-en-1,5-diynylphenol (PubChem CID 71419164) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-dec-3-en-1,5-diynylphenol.

Molecular Properties

Compound Name2-dec-3-en-1,5-diynylphenol
PubChem CID71419164
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name2-dec-3-en-1,5-diynylphenol
SMILESCCCCC#CC=CC#Cc1ccccc1O
InChIInChI=1S/C16H16O/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17/h7-8,10-11,13-14,17H,2-4H2,1H3
InChIKeyXAHNEMSFSCQAPB-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.49
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

1-dec-3-en-1,5-diynyl-2-methylsulfanylbenzene
CID 71419140
1-dodec-3-en-1,5-diynyl-2-(trifluoromethyl)benzene
CID 91427544
[(E)-dodec-3-en-1,5-diynyl]benzene
CID 11322329
1-[(E)-dec-3-en-1,5-diynyl]-4-[4-[(E)-dec-3-en-1,5-diynyl]phenyl]benzene
CID 12022913
4-dec-3-en-1,5-diynylbenzaldehyde
CID 71419156
1,2-bis(oct-1-ynyl)benzene
CID 11087701
(Z)-1-phenyltridec-4-en-2,6-diyn-1-ol
CID 51031562
(E)-1-phenyldec-2-en-4-yn-1-one
CID 45112533
[(E)-dodec-1-en-3-ynyl]benzene
CID 101385247
2-[2-(2-hydroxyphenyl)ethynyl]phenol
CID 10560378
2-dec-3-en-1,5-diynylpyrazine
CID 71419179
(3Z)-2-methylundeca-1,3-dien-5-yne
CID 102067427

Frequently Asked Questions

What is the IUPAC name of 2-dec-3-en-1,5-diynylphenol?
The IUPAC name of 2-dec-3-en-1,5-diynylphenol (CID 71419164) is 2-dec-3-en-1,5-diynylphenol.
What is the SMILES notation for 2-dec-3-en-1,5-diynylphenol?
The canonical SMILES for 2-dec-3-en-1,5-diynylphenol is CCCCC#CC=CC#Cc1ccccc1O.
What is the InChIKey of 2-dec-3-en-1,5-diynylphenol?
The InChIKey is XAHNEMSFSCQAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17/h7-8,10-11,13-14,17H,2-4H2,1H3.
What are the key properties of 2-dec-3-en-1,5-diynylphenol?
2-dec-3-en-1,5-diynylphenol has a molecular weight of 224.30 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-3-en-1,5-diynylphenol is sourced from PubChem (CID 71419164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).