2-butylbicyclo[3.2.0]hept-6-yn-3-ol

C11H16O — CID 123944165

IUPAC2-butylbicyclo[3.2.0]hept-6-yn-3-ol
SMILESCCCCC1C(O)CC2C#CC21
InChIInChI=1S/C11H16O/c1-2-3-4-10-9-6-5-8(9)7-11(10)12/h8-12H,2-4,7H2,1H3
InChIKeyZRLWANVAOWCURT-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.81
Rot. Bonds3

About 2-butylbicyclo[3.2.0]hept-6-yn-3-ol

2-butylbicyclo[3.2.0]hept-6-yn-3-ol (PubChem CID 123944165) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-butylbicyclo[3.2.0]hept-6-yn-3-ol.

Molecular Properties

Compound Name2-butylbicyclo[3.2.0]hept-6-yn-3-ol
PubChem CID123944165
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-butylbicyclo[3.2.0]hept-6-yn-3-ol
SMILESCCCCC1C(O)CC2C#CC21
InChIInChI=1S/C11H16O/c1-2-3-4-10-9-6-5-8(9)7-11(10)12/h8-12H,2-4,7H2,1H3
InChIKeyZRLWANVAOWCURT-UHFFFAOYSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butylbicyclo[3.2.0]hept-6-yn-3-ol?
The IUPAC name of 2-butylbicyclo[3.2.0]hept-6-yn-3-ol (CID 123944165) is 2-butylbicyclo[3.2.0]hept-6-yn-3-ol.
What is the SMILES notation for 2-butylbicyclo[3.2.0]hept-6-yn-3-ol?
The canonical SMILES for 2-butylbicyclo[3.2.0]hept-6-yn-3-ol is CCCCC1C(O)CC2C#CC21.
What is the InChIKey of 2-butylbicyclo[3.2.0]hept-6-yn-3-ol?
The InChIKey is ZRLWANVAOWCURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-2-3-4-10-9-6-5-8(9)7-11(10)12/h8-12H,2-4,7H2,1H3.
What are the key properties of 2-butylbicyclo[3.2.0]hept-6-yn-3-ol?
2-butylbicyclo[3.2.0]hept-6-yn-3-ol has a molecular weight of 164.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylbicyclo[3.2.0]hept-6-yn-3-ol is sourced from PubChem (CID 123944165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).