2-(1-ethynylcyclohexyl)oxyoxane

C13H20O2 — CID 14148172

IUPAC2-(1-ethynylcyclohexyl)oxyoxane
SMILESC#CC1(OC2CCCCO2)CCCCC1
InChIInChI=1S/C13H20O2/c1-2-13(9-5-3-6-10-13)15-12-8-4-7-11-14-12/h1,12H,3-11H2
InChIKeyJCCUGAIZXCUWKD-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.87
Rot. Bonds2

About 2-(1-ethynylcyclohexyl)oxyoxane

2-(1-ethynylcyclohexyl)oxyoxane (PubChem CID 14148172) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(1-ethynylcyclohexyl)oxyoxane.

Molecular Properties

Compound Name2-(1-ethynylcyclohexyl)oxyoxane
PubChem CID14148172
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(1-ethynylcyclohexyl)oxyoxane
SMILESC#CC1(OC2CCCCO2)CCCCC1
InChIInChI=1S/C13H20O2/c1-2-13(9-5-3-6-10-13)15-12-8-4-7-11-14-12/h1,12H,3-11H2
InChIKeyJCCUGAIZXCUWKD-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane
CID 59309304
2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane
CID 123438419
2-[1-[4-[1-(oxan-2-yloxy)-4-propylcyclohexyl]buta-1,3-diynyl]-4-propylcyclohexyl]oxyoxane
CID 59309325
cyclohexyl-[1-(oxan-2-yloxy)cyclopropyl]methanol
CID 134894631
(3S)-3-methyl-3-(oxan-2-yloxy)piperidine
CID 169225357
2-methoxyoxepane
CID 24974084
2-[1-[2-[3-(methoxymethyl)phenyl]ethynyl]cyclopentyl]oxyoxane
CID 167134913
2-cycloheptyloxyoxane
CID 11735764
1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
CID 70625745
methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate
CID 169100738
2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine
CID 23339591
2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane
CID 146650975

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethynylcyclohexyl)oxyoxane?
The IUPAC name of 2-(1-ethynylcyclohexyl)oxyoxane (CID 14148172) is 2-(1-ethynylcyclohexyl)oxyoxane.
What is the SMILES notation for 2-(1-ethynylcyclohexyl)oxyoxane?
The canonical SMILES for 2-(1-ethynylcyclohexyl)oxyoxane is C#CC1(OC2CCCCO2)CCCCC1.
What is the InChIKey of 2-(1-ethynylcyclohexyl)oxyoxane?
The InChIKey is JCCUGAIZXCUWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-13(9-5-3-6-10-13)15-12-8-4-7-11-14-12/h1,12H,3-11H2.
What are the key properties of 2-(1-ethynylcyclohexyl)oxyoxane?
2-(1-ethynylcyclohexyl)oxyoxane has a molecular weight of 208.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethynylcyclohexyl)oxyoxane is sourced from PubChem (CID 14148172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).