2-[2-(2-ethylphenyl)ethynyl]oxolane

C14H16O — CID 102141444

IUPAC2-[2-(2-ethylphenyl)ethynyl]oxolane
SMILESCCc1ccccc1C#CC1CCCO1
InChIInChI=1S/C14H16O/c1-2-12-6-3-4-7-13(12)9-10-14-8-5-11-15-14/h3-4,6-7,14H,2,5,8,11H2,1H3
InChIKeyJKOSLKAPEHIFSB-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.78
Rot. Bonds1

About 2-[2-(2-ethylphenyl)ethynyl]oxolane

2-[2-(2-ethylphenyl)ethynyl]oxolane (PubChem CID 102141444) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[2-(2-ethylphenyl)ethynyl]oxolane.

Molecular Properties

Compound Name2-[2-(2-ethylphenyl)ethynyl]oxolane
PubChem CID102141444
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name2-[2-(2-ethylphenyl)ethynyl]oxolane
SMILESCCc1ccccc1C#CC1CCCO1
InChIInChI=1S/C14H16O/c1-2-12-6-3-4-7-13(12)9-10-14-8-5-11-15-14/h3-4,6-7,14H,2,5,8,11H2,1H3
InChIKeyJKOSLKAPEHIFSB-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.78
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

2-(2-naphthalen-1-ylethynyl)oxolane
CID 102141439
1-(2-cyclopropylethynyl)-2-ethylbenzene
CID 130055738
1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone
CID 102141437
2-(2-thiophen-2-ylethynyl)oxolane
CID 134859564
1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene
CID 139455003
(2S)-2-[2-(4-chlorophenyl)ethynyl]oxolane
CID 125483807
4-(2-ethylphenyl)but-3-yn-1-ol
CID 130165779
ethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine
CID 164927006
1,2-diethylbenzene;1,2-diethylcyclohexane;ethane
CID 158142354
1-ethyl-2-(3-methoxyprop-1-ynyl)benzene
CID 91875161
ethoxy-[4-[2-(oxolan-2-yl)ethynyl]phenyl]-bis(prop-2-enyl)silane
CID 89242142
N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]oxane-2-carboxamide
CID 62212658

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylphenyl)ethynyl]oxolane?
The IUPAC name of 2-[2-(2-ethylphenyl)ethynyl]oxolane (CID 102141444) is 2-[2-(2-ethylphenyl)ethynyl]oxolane.
What is the SMILES notation for 2-[2-(2-ethylphenyl)ethynyl]oxolane?
The canonical SMILES for 2-[2-(2-ethylphenyl)ethynyl]oxolane is CCc1ccccc1C#CC1CCCO1.
What is the InChIKey of 2-[2-(2-ethylphenyl)ethynyl]oxolane?
The InChIKey is JKOSLKAPEHIFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-2-12-6-3-4-7-13(12)9-10-14-8-5-11-15-14/h3-4,6-7,14H,2,5,8,11H2,1H3.
What are the key properties of 2-[2-(2-ethylphenyl)ethynyl]oxolane?
2-[2-(2-ethylphenyl)ethynyl]oxolane has a molecular weight of 200.28 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylphenyl)ethynyl]oxolane is sourced from PubChem (CID 102141444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).