(E)-icos-4-en-1-yn-3-ol

C20H36O — CID 5353336

IUPAC(E)-icos-4-en-1-yn-3-ol
SMILESC#CC(O)/C=C/CCCCCCCCCCCCCCC
InChIInChI=1S/C20H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)4-2/h2,18-21H,3,5-17H2,1H3/b19-18+
InChIKeyMQUXQBHHZDPZOB-VHEBQXMUSA-N
MW292.51 g/mol
LogP6.02
Rot. Bonds15

About (E)-icos-4-en-1-yn-3-ol

(E)-icos-4-en-1-yn-3-ol (PubChem CID 5353336) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is (E)-icos-4-en-1-yn-3-ol.

Molecular Properties

Compound Name(E)-icos-4-en-1-yn-3-ol
PubChem CID5353336
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name(E)-icos-4-en-1-yn-3-ol
SMILESC#CC(O)/C=C/CCCCCCCCCCCCCCC
InChIInChI=1S/C20H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)4-2/h2,18-21H,3,5-17H2,1H3/b19-18+
InChIKeyMQUXQBHHZDPZOB-VHEBQXMUSA-N
XLogP6.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.02
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 (E)-icos-4-en-1-yn-3-ol?
The IUPAC name of (E)-icos-4-en-1-yn-3-ol (CID 5353336) is (E)-icos-4-en-1-yn-3-ol.
What is the SMILES notation for (E)-icos-4-en-1-yn-3-ol?
The canonical SMILES for (E)-icos-4-en-1-yn-3-ol is C#CC(O)/C=C/CCCCCCCCCCCCCCC.
What is the InChIKey of (E)-icos-4-en-1-yn-3-ol?
The InChIKey is MQUXQBHHZDPZOB-VHEBQXMUSA-N. The full InChI is InChI=1S/C20H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)4-2/h2,18-21H,3,5-17H2,1H3/b19-18+.
What are the key properties of (E)-icos-4-en-1-yn-3-ol?
(E)-icos-4-en-1-yn-3-ol has a molecular weight of 292.51 g/mol, XLogP of 6.02, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-icos-4-en-1-yn-3-ol is sourced from PubChem (CID 5353336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).