1-(cyclohexen-1-yl)-3-ethoxyprop-2-yn-1-ol

C11H16O2 — CID 130129548

IUPAC1-(cyclohexen-1-yl)-3-ethoxyprop-2-yn-1-ol
SMILESCCOC#CC(O)C1=CCCCC1
InChIInChI=1S/C11H16O2/c1-2-13-9-8-11(12)10-6-4-3-5-7-10/h6,11-12H,2-5,7H2,1H3
InChIKeyIFXZAAMBIMSXLK-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.85
Rot. Bonds2

About 1-(cyclohexen-1-yl)-3-ethoxyprop-2-yn-1-ol

1-(cyclohexen-1-yl)-3-ethoxyprop-2-yn-1-ol (PubChem CID 130129548) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-ethoxyprop-2-yn-1-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-ethoxyprop-2-yn-1-ol
PubChem CID130129548
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(cyclohexen-1-yl)-3-ethoxyprop-2-yn-1-ol
SMILESCCOC#CC(O)C1=CCCCC1
InChIInChI=1S/C11H16O2/c1-2-13-9-8-11(12)10-6-4-3-5-7-10/h6,11-12H,2-5,7H2,1H3
InChIKeyIFXZAAMBIMSXLK-UHFFFAOYSA-N
XLogP1.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(cyclohexen-1-yl)-3-ethoxyprop-2-yn-1-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-3-ethoxyprop-2-yn-1-ol (CID 130129548) is 1-(cyclohexen-1-yl)-3-ethoxyprop-2-yn-1-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-ethoxyprop-2-yn-1-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-ethoxyprop-2-yn-1-ol is CCOC#CC(O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-ethoxyprop-2-yn-1-ol?
The InChIKey is IFXZAAMBIMSXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-13-9-8-11(12)10-6-4-3-5-7-10/h6,11-12H,2-5,7H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-ethoxyprop-2-yn-1-ol?
1-(cyclohexen-1-yl)-3-ethoxyprop-2-yn-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-ethoxyprop-2-yn-1-ol is sourced from PubChem (CID 130129548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).