hex-5-en-1-yn-3-ol

C6H8O — CID 11073346

IUPAChex-5-en-1-yn-3-ol
SMILESC#CC(O)CC=C
InChIInChI=1S/C6H8O/c1-3-5-6(7)4-2/h2-3,6-7H,1,5H2
InChIKeyHRTFZVSJWXOSIX-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.56
Rot. Bonds2

About hex-5-en-1-yn-3-ol

hex-5-en-1-yn-3-ol (PubChem CID 11073346) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is hex-5-en-1-yn-3-ol.

Molecular Properties

Compound Namehex-5-en-1-yn-3-ol
PubChem CID11073346
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Namehex-5-en-1-yn-3-ol
SMILESC#CC(O)CC=C
InChIInChI=1S/C6H8O/c1-3-5-6(7)4-2/h2-3,6-7H,1,5H2
InChIKeyHRTFZVSJWXOSIX-UHFFFAOYSA-N
XLogP0.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 hex-5-en-1-yn-3-ol?
The IUPAC name of hex-5-en-1-yn-3-ol (CID 11073346) is hex-5-en-1-yn-3-ol.
What is the SMILES notation for hex-5-en-1-yn-3-ol?
The canonical SMILES for hex-5-en-1-yn-3-ol is C#CC(O)CC=C.
What is the InChIKey of hex-5-en-1-yn-3-ol?
The InChIKey is HRTFZVSJWXOSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-3-5-6(7)4-2/h2-3,6-7H,1,5H2.
What are the key properties of hex-5-en-1-yn-3-ol?
hex-5-en-1-yn-3-ol has a molecular weight of 96.13 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-en-1-yn-3-ol is sourced from PubChem (CID 11073346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).