2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane

C11H20O4 — CID 66472549

IUPAC2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane
SMILESC1COC(CCOCC2CCOC2)OC1
InChIInChI=1S/C11H20O4/c1-4-14-11(15-5-1)3-7-13-9-10-2-6-12-8-10/h10-11H,1-9H2
InChIKeyYKHOZCBRVIBSNT-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.19
Rot. Bonds5

About 2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane

2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane (PubChem CID 66472549) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane
PubChem CID66472549
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane
SMILESC1COC(CCOCC2CCOC2)OC1
InChIInChI=1S/C11H20O4/c1-4-14-11(15-5-1)3-7-13-9-10-2-6-12-8-10/h10-11H,1-9H2
InChIKeyYKHOZCBRVIBSNT-UHFFFAOYSA-N
XLogP1.19
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(oxolan-3-ylmethoxy)ethyl]-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

methyl 1-(methylamino)-2-[2-(oxolan-3-ylmethoxy)ethyl]cyclopentane-1-carboxylate
CID 79571672
N-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine
CID 115718476
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
1-(oxolan-3-ylmethoxy)butan-2-ol
CID 62040870
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-dioxane
CID 104563941
oxolan-2-yl(oxolan-3-ylmethoxy)methanol
CID 91393732
3-(2-bromoprop-2-enoxymethyl)oxolane
CID 131211912
2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol
CID 64810389
O-(oxolan-3-ylmethyl)hydroxylamine
CID 25137671
N'-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]azepane-1-carboximidamide
CID 99849009
(2R)-2-(oxolan-3-ylmethoxymethyl)pyrrolidine
CID 102820061
2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111818632

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane (CID 66472549) is 2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane is C1COC(CCOCC2CCOC2)OC1.
What is the InChIKey of 2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane?
The InChIKey is YKHOZCBRVIBSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-14-11(15-5-1)3-7-13-9-10-2-6-12-8-10/h10-11H,1-9H2.
What are the key properties of 2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane?
2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane has a molecular weight of 216.28 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane is sourced from PubChem (CID 66472549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).