1-ethynyl-1-prop-2-enoxycyclohexane

C11H16O — CID 11051992

IUPAC1-ethynyl-1-prop-2-enoxycyclohexane
SMILESC#CC1(OCC=C)CCCCC1
InChIInChI=1S/C11H16O/c1-3-10-12-11(4-2)8-6-5-7-9-11/h2-3H,1,5-10H2
InChIKeyWNYDQGSRAIRCQE-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.53
Rot. Bonds3

About 1-ethynyl-1-prop-2-enoxycyclohexane

1-ethynyl-1-prop-2-enoxycyclohexane (PubChem CID 11051992) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-ethynyl-1-prop-2-enoxycyclohexane.

Molecular Properties

Compound Name1-ethynyl-1-prop-2-enoxycyclohexane
PubChem CID11051992
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-ethynyl-1-prop-2-enoxycyclohexane
SMILESC#CC1(OCC=C)CCCCC1
InChIInChI=1S/C11H16O/c1-3-10-12-11(4-2)8-6-5-7-9-11/h2-3H,1,5-10H2
InChIKeyWNYDQGSRAIRCQE-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
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 1-ethynyl-1-prop-2-enoxycyclohexane?
The IUPAC name of 1-ethynyl-1-prop-2-enoxycyclohexane (CID 11051992) is 1-ethynyl-1-prop-2-enoxycyclohexane.
What is the SMILES notation for 1-ethynyl-1-prop-2-enoxycyclohexane?
The canonical SMILES for 1-ethynyl-1-prop-2-enoxycyclohexane is C#CC1(OCC=C)CCCCC1.
What is the InChIKey of 1-ethynyl-1-prop-2-enoxycyclohexane?
The InChIKey is WNYDQGSRAIRCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-10-12-11(4-2)8-6-5-7-9-11/h2-3H,1,5-10H2.
What are the key properties of 1-ethynyl-1-prop-2-enoxycyclohexane?
1-ethynyl-1-prop-2-enoxycyclohexane has a molecular weight of 164.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-1-prop-2-enoxycyclohexane is sourced from PubChem (CID 11051992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).