tetradec-13-en-2,4-diyn-1-ol

C14H20O — CID 5283270

IUPACtetradec-13-en-2,4-diyn-1-ol
SMILESC=CCCCCCCCC#CC#CCO
InChIInChI=1S/C14H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,15H,1,3-9,14H2
InChIKeyCENJVOWTHMJWMU-UHFFFAOYSA-N
MW204.31 g/mol
LogP2.90
Rot. Bonds7

About tetradec-13-en-2,4-diyn-1-ol

tetradec-13-en-2,4-diyn-1-ol (PubChem CID 5283270) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is tetradec-13-en-2,4-diyn-1-ol.

Molecular Properties

Compound Nametetradec-13-en-2,4-diyn-1-ol
PubChem CID5283270
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Nametetradec-13-en-2,4-diyn-1-ol
SMILESC=CCCCCCCCC#CC#CCO
InChIInChI=1S/C14H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,15H,1,3-9,14H2
InChIKeyCENJVOWTHMJWMU-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetradec-13-en-2,4-diyn-1-ol?
The IUPAC name of tetradec-13-en-2,4-diyn-1-ol (CID 5283270) is tetradec-13-en-2,4-diyn-1-ol.
What is the SMILES notation for tetradec-13-en-2,4-diyn-1-ol?
The canonical SMILES for tetradec-13-en-2,4-diyn-1-ol is C=CCCCCCCCC#CC#CCO.
What is the InChIKey of tetradec-13-en-2,4-diyn-1-ol?
The InChIKey is CENJVOWTHMJWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,15H,1,3-9,14H2.
What are the key properties of tetradec-13-en-2,4-diyn-1-ol?
tetradec-13-en-2,4-diyn-1-ol has a molecular weight of 204.31 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-13-en-2,4-diyn-1-ol is sourced from PubChem (CID 5283270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).