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

C11H18O — CID 71745536

IUPAC(E)-undec-4-en-1-yn-3-ol
SMILESC#CC(O)/C=C/CCCCCC
InChIInChI=1S/C11H18O/c1-3-5-6-7-8-9-10-11(12)4-2/h2,9-12H,3,5-8H2,1H3/b10-9+
InChIKeyXSEMXLZWKDTMJS-MDZDMXLPSA-N
MW166.26 g/mol
LogP2.51
Rot. Bonds6

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

(E)-undec-4-en-1-yn-3-ol (PubChem CID 71745536) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (E)-undec-4-en-1-yn-3-ol.

Molecular Properties

Compound Name(E)-undec-4-en-1-yn-3-ol
PubChem CID71745536
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(E)-undec-4-en-1-yn-3-ol
SMILESC#CC(O)/C=C/CCCCCC
InChIInChI=1S/C11H18O/c1-3-5-6-7-8-9-10-11(12)4-2/h2,9-12H,3,5-8H2,1H3/b10-9+
InChIKeyXSEMXLZWKDTMJS-MDZDMXLPSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.51
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)-undec-4-en-1-yn-3-ol?
The IUPAC name of (E)-undec-4-en-1-yn-3-ol (CID 71745536) is (E)-undec-4-en-1-yn-3-ol.
What is the SMILES notation for (E)-undec-4-en-1-yn-3-ol?
The canonical SMILES for (E)-undec-4-en-1-yn-3-ol is C#CC(O)/C=C/CCCCCC.
What is the InChIKey of (E)-undec-4-en-1-yn-3-ol?
The InChIKey is XSEMXLZWKDTMJS-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H18O/c1-3-5-6-7-8-9-10-11(12)4-2/h2,9-12H,3,5-8H2,1H3/b10-9+.
What are the key properties of (E)-undec-4-en-1-yn-3-ol?
(E)-undec-4-en-1-yn-3-ol has a molecular weight of 166.26 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-undec-4-en-1-yn-3-ol is sourced from PubChem (CID 71745536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).