2-ethynyl-2,5-dimethyloxolane

C8H12O — CID 156644115

IUPAC2-ethynyl-2,5-dimethyloxolane
SMILESC#CC1(C)CCC(C)O1
InChIInChI=1S/C8H12O/c1-4-8(3)6-5-7(2)9-8/h1,7H,5-6H2,2-3H3
InChIKeyQVILWQRSPYJOLM-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.58
Rot. Bonds

About 2-ethynyl-2,5-dimethyloxolane

2-ethynyl-2,5-dimethyloxolane (PubChem CID 156644115) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-ethynyl-2,5-dimethyloxolane.

Molecular Properties

Compound Name2-ethynyl-2,5-dimethyloxolane
PubChem CID156644115
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-ethynyl-2,5-dimethyloxolane
SMILESC#CC1(C)CCC(C)O1
InChIInChI=1S/C8H12O/c1-4-8(3)6-5-7(2)9-8/h1,7H,5-6H2,2-3H3
InChIKeyQVILWQRSPYJOLM-UHFFFAOYSA-N
XLogP1.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.58
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

3-bromo-6-ethynyl-2,2,6-trimethyloxane
CID 71390397
2-butyl-2-ethynyl-5-methyloxolane
CID 156644109
(3S,5R,7R,10S)-3,10-dimethyl-4,11,12,13-tetraoxadispiro[4.1.47.25]tridecane
CID 11637098
(2S,3S)-2-ethynyl-2,3-dimethyloxirane
CID 23262330
[(2R,5S)-2-ethynyl-5-methyloxolan-2-yl]methyl pentanoate
CID 167274839
CID 58183431
CID 58183431
(5R,6R)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-ol
CID 175902392
(2R,5R,6R)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-ol
CID 14081354
(4S)-2,2,4-trimethyl-1,3-dioxane
CID 12587732
2-tert-butyl-2-ethyl-5-methyloxolane
CID 69054578
4-ethynyl-2-methyloxan-4-ol
CID 45079336
cis-(1R,3R)-1-ethynyl-2,2,3-trimethylcyclopentan-1-ol
CID 134856059

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-2,5-dimethyloxolane?
The IUPAC name of 2-ethynyl-2,5-dimethyloxolane (CID 156644115) is 2-ethynyl-2,5-dimethyloxolane.
What is the SMILES notation for 2-ethynyl-2,5-dimethyloxolane?
The canonical SMILES for 2-ethynyl-2,5-dimethyloxolane is C#CC1(C)CCC(C)O1.
What is the InChIKey of 2-ethynyl-2,5-dimethyloxolane?
The InChIKey is QVILWQRSPYJOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-4-8(3)6-5-7(2)9-8/h1,7H,5-6H2,2-3H3.
What are the key properties of 2-ethynyl-2,5-dimethyloxolane?
2-ethynyl-2,5-dimethyloxolane has a molecular weight of 124.18 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-2,5-dimethyloxolane is sourced from PubChem (CID 156644115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).