5-ethynoxy-2,3-dimethylbicyclo[2.2.1]heptane

C11H16O — CID 122683103

IUPAC5-ethynoxy-2,3-dimethylbicyclo[2.2.1]heptane
SMILESC#COC1CC2CC1C(C)C2C
InChIInChI=1S/C11H16O/c1-4-12-11-6-9-5-10(11)8(3)7(9)2/h1,7-11H,5-6H2,2-3H3
InChIKeyYEYKRAMNNXWCDP-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.27
Rot. Bonds1

About 5-ethynoxy-2,3-dimethylbicyclo[2.2.1]heptane

5-ethynoxy-2,3-dimethylbicyclo[2.2.1]heptane (PubChem CID 122683103) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-ethynoxy-2,3-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-ethynoxy-2,3-dimethylbicyclo[2.2.1]heptane
PubChem CID122683103
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name5-ethynoxy-2,3-dimethylbicyclo[2.2.1]heptane
SMILESC#COC1CC2CC1C(C)C2C
InChIInChI=1S/C11H16O/c1-4-12-11-6-9-5-10(11)8(3)7(9)2/h1,7-11H,5-6H2,2-3H3
InChIKeyYEYKRAMNNXWCDP-UHFFFAOYSA-N
XLogP2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate;phosphanide
CID 162013493
(5R)-2,3,5-trimethylbicyclo[2.2.1]heptane
CID 59217509
2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane
CID 161281823
(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate
CID 18336307
3-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 59030178
2,3-dimethyl-5-methylbicyclo[2.2.1]heptane
CID 144530808
(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methyladamantane-2-carboxylate
CID 23518161
2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane)
CID 160833489
(4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 123960499
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol
CID 20721971
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
tert-butyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 91144013

Frequently Asked Questions

What is the IUPAC name of 5-ethynoxy-2,3-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 5-ethynoxy-2,3-dimethylbicyclo[2.2.1]heptane (CID 122683103) is 5-ethynoxy-2,3-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 5-ethynoxy-2,3-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 5-ethynoxy-2,3-dimethylbicyclo[2.2.1]heptane is C#COC1CC2CC1C(C)C2C.
What is the InChIKey of 5-ethynoxy-2,3-dimethylbicyclo[2.2.1]heptane?
The InChIKey is YEYKRAMNNXWCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-4-12-11-6-9-5-10(11)8(3)7(9)2/h1,7-11H,5-6H2,2-3H3.
What are the key properties of 5-ethynoxy-2,3-dimethylbicyclo[2.2.1]heptane?
5-ethynoxy-2,3-dimethylbicyclo[2.2.1]heptane has a molecular weight of 164.25 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynoxy-2,3-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 122683103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).