2-(oxan-2-ylmethyl)oxane

C11H20O2 — CID 67860654

IUPAC2-(oxan-2-ylmethyl)oxane
SMILESC1CCC(CC2CCCCO2)OC1
InChIInChI=1S/C11H20O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13-11/h10-11H,1-9H2
InChIKeyICNLOOMYBMTZQW-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.51
Rot. Bonds2

About 2-(oxan-2-ylmethyl)oxane

2-(oxan-2-ylmethyl)oxane (PubChem CID 67860654) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(oxan-2-ylmethyl)oxane.

Molecular Properties

Compound Name2-(oxan-2-ylmethyl)oxane
PubChem CID67860654
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(oxan-2-ylmethyl)oxane
SMILESC1CCC(CC2CCCCO2)OC1
InChIInChI=1S/C11H20O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13-11/h10-11H,1-9H2
InChIKeyICNLOOMYBMTZQW-UHFFFAOYSA-N
XLogP2.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(oxan-2-ylmethyl)oxane 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

(2S)-2-(bromomethyl)oxane
CID 13022883
[(2S)-oxan-2-yl]methanol
CID 6950811
2-(cyclopropylmethyl)oxolane
CID 57067840
(2S)-2-(fluoromethyl)oxane
CID 126712338
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
CID 142148322
CID 142148322
3-(oxan-2-ylmethyl)pyrrolidine
CID 104680485
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098
2-[(2-bromocycloheptyl)methyl]oxolane
CID 62550191
(2R)-2-(2-methylpropyl)oxane
CID 58653197
ethanol;oxan-2-ylmethanol
CID 66900182
ethane;[(2S)-oxan-2-yl]methanol;hydrate
CID 168916263

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethyl)oxane?
The IUPAC name of 2-(oxan-2-ylmethyl)oxane (CID 67860654) is 2-(oxan-2-ylmethyl)oxane.
What is the SMILES notation for 2-(oxan-2-ylmethyl)oxane?
The canonical SMILES for 2-(oxan-2-ylmethyl)oxane is C1CCC(CC2CCCCO2)OC1.
What is the InChIKey of 2-(oxan-2-ylmethyl)oxane?
The InChIKey is ICNLOOMYBMTZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13-11/h10-11H,1-9H2.
What are the key properties of 2-(oxan-2-ylmethyl)oxane?
2-(oxan-2-ylmethyl)oxane has a molecular weight of 184.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethyl)oxane is sourced from PubChem (CID 67860654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).