2-(2-methoxybut-3-yn-2-yl)-4-methyl-1,3-dioxane

C10H16O3 — CID 22764999

IUPAC2-(2-methoxybut-3-yn-2-yl)-4-methyl-1,3-dioxane
SMILESC#CC(C)(OC)C1OCCC(C)O1
InChIInChI=1S/C10H16O3/c1-5-10(3,11-4)9-12-7-6-8(2)13-9/h1,8-9H,6-7H2,2-4H3
InChIKeyCBKPLQDBDWJKOU-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.18
Rot. Bonds2

About 2-(2-methoxybut-3-yn-2-yl)-4-methyl-1,3-dioxane

2-(2-methoxybut-3-yn-2-yl)-4-methyl-1,3-dioxane (PubChem CID 22764999) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(2-methoxybut-3-yn-2-yl)-4-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-(2-methoxybut-3-yn-2-yl)-4-methyl-1,3-dioxane
PubChem CID22764999
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(2-methoxybut-3-yn-2-yl)-4-methyl-1,3-dioxane
SMILESC#CC(C)(OC)C1OCCC(C)O1
InChIInChI=1S/C10H16O3/c1-5-10(3,11-4)9-12-7-6-8(2)13-9/h1,8-9H,6-7H2,2-4H3
InChIKeyCBKPLQDBDWJKOU-UHFFFAOYSA-N
XLogP1.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methoxybut-3-yn-2-yl)-4-methyl-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4R)-2-methoxy-4-methyl-1,3-dioxane
CID 13356634
(1S)-1-[(2R,4S)-4-methyl-1,3-dioxan-2-yl]-1-phenylethanol
CID 101153103
2-(1,1-dimethoxyethyl)-1,3-dioxolane
CID 57296268
2-methoxy-2-methylpropane;2-methyloxolane
CID 67153137
(5R)-2-methoxy-5-methyloxolane
CID 70228275
2-ethynyl-3-methoxyoxane
CID 74025516
(2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane
CID 170847914
(2S)-2,5-dimethyloxolane
CID 118613003
4-methyl-2-(3-methylbutan-2-yl)-1,3-dioxane
CID 170368455
4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane
CID 170568146
2-(3,4-dimethylpentan-2-yl)-4-methyl-1,3-dioxane
CID 176760509
methyl 2-methyl-2-[(2-methyloxolan-3-yl)amino]propanoate
CID 82726709

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxybut-3-yn-2-yl)-4-methyl-1,3-dioxane?
The IUPAC name of 2-(2-methoxybut-3-yn-2-yl)-4-methyl-1,3-dioxane (CID 22764999) is 2-(2-methoxybut-3-yn-2-yl)-4-methyl-1,3-dioxane.
What is the SMILES notation for 2-(2-methoxybut-3-yn-2-yl)-4-methyl-1,3-dioxane?
The canonical SMILES for 2-(2-methoxybut-3-yn-2-yl)-4-methyl-1,3-dioxane is C#CC(C)(OC)C1OCCC(C)O1.
What is the InChIKey of 2-(2-methoxybut-3-yn-2-yl)-4-methyl-1,3-dioxane?
The InChIKey is CBKPLQDBDWJKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-10(3,11-4)9-12-7-6-8(2)13-9/h1,8-9H,6-7H2,2-4H3.
What are the key properties of 2-(2-methoxybut-3-yn-2-yl)-4-methyl-1,3-dioxane?
2-(2-methoxybut-3-yn-2-yl)-4-methyl-1,3-dioxane has a molecular weight of 184.23 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxybut-3-yn-2-yl)-4-methyl-1,3-dioxane is sourced from PubChem (CID 22764999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).