oct-7-en-1-yn-3-ol

C8H12O — CID 11829430

IUPACoct-7-en-1-yn-3-ol
SMILESC#CC(O)CCCC=C
InChIInChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h2-3,8-9H,1,5-7H2
InChIKeyHAGDUNIMPOUPLA-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.34
Rot. Bonds4

About oct-7-en-1-yn-3-ol

oct-7-en-1-yn-3-ol (PubChem CID 11829430) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is oct-7-en-1-yn-3-ol.

Molecular Properties

Compound Nameoct-7-en-1-yn-3-ol
PubChem CID11829430
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Nameoct-7-en-1-yn-3-ol
SMILESC#CC(O)CCCC=C
InChIInChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h2-3,8-9H,1,5-7H2
InChIKeyHAGDUNIMPOUPLA-UHFFFAOYSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.34
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 oct-7-en-1-yn-3-ol?
The IUPAC name of oct-7-en-1-yn-3-ol (CID 11829430) is oct-7-en-1-yn-3-ol.
What is the SMILES notation for oct-7-en-1-yn-3-ol?
The canonical SMILES for oct-7-en-1-yn-3-ol is C#CC(O)CCCC=C.
What is the InChIKey of oct-7-en-1-yn-3-ol?
The InChIKey is HAGDUNIMPOUPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h2-3,8-9H,1,5-7H2.
What are the key properties of oct-7-en-1-yn-3-ol?
oct-7-en-1-yn-3-ol has a molecular weight of 124.18 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-en-1-yn-3-ol is sourced from PubChem (CID 11829430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).