2-(2-thiophen-2-ylethynyl)oxolane

C10H10OS — CID 134859564

IUPAC2-(2-thiophen-2-ylethynyl)oxolane
SMILESC(#CC1CCCO1)c1cccs1
InChIInChI=1S/C10H10OS/c1-3-9(11-7-1)5-6-10-4-2-8-12-10/h2,4,8-9H,1,3,7H2
InChIKeyWWXIDMHKEUBSNZ-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.28
Rot. Bonds

About 2-(2-thiophen-2-ylethynyl)oxolane

2-(2-thiophen-2-ylethynyl)oxolane (PubChem CID 134859564) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethynyl)oxolane.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethynyl)oxolane
PubChem CID134859564
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name2-(2-thiophen-2-ylethynyl)oxolane
SMILESC(#CC1CCCO1)c1cccs1
InChIInChI=1S/C10H10OS/c1-3-9(11-7-1)5-6-10-4-2-8-12-10/h2,4,8-9H,1,3,7H2
InChIKeyWWXIDMHKEUBSNZ-UHFFFAOYSA-N
XLogP2.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.28
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

cis-(1S,2R)-2-(2-thiophen-2-ylethynyl)cyclohexan-1-ol
CID 126847481
(2S)-2-[2-(4-chlorophenyl)ethynyl]oxolane
CID 125483807
2-(2-naphthalen-1-ylethynyl)oxolane
CID 102141439
2-[2-(2-ethylphenyl)ethynyl]oxolane
CID 102141444
1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone
CID 102141437
ethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine
CID 164927006
2-thiophen-2-yloxan-3-amine
CID 79365694
(3S,4S)-1,1-dioxo-4-(2-thiophen-2-ylethynyl)thiolan-3-ol
CID 126847525
oxolan-2-yl(thiophen-2-yl)methanol
CID 61087499
1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol
CID 130055841
(2R,3S,5R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-5-(2-thiophen-2-ylethynyl)oxolane
CID 101237260
N-(oxolan-2-ylmethyl)thiophen-2-amine
CID 3436457

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethynyl)oxolane?
The IUPAC name of 2-(2-thiophen-2-ylethynyl)oxolane (CID 134859564) is 2-(2-thiophen-2-ylethynyl)oxolane.
What is the SMILES notation for 2-(2-thiophen-2-ylethynyl)oxolane?
The canonical SMILES for 2-(2-thiophen-2-ylethynyl)oxolane is C(#CC1CCCO1)c1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylethynyl)oxolane?
The InChIKey is WWXIDMHKEUBSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c1-3-9(11-7-1)5-6-10-4-2-8-12-10/h2,4,8-9H,1,3,7H2.
What are the key properties of 2-(2-thiophen-2-ylethynyl)oxolane?
2-(2-thiophen-2-ylethynyl)oxolane has a molecular weight of 178.26 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethynyl)oxolane is sourced from PubChem (CID 134859564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).