2-(1,3-dimethoxypropan-2-yloxymethyl)oxane

C11H22O4 — CID 58593438

IUPAC2-(1,3-dimethoxypropan-2-yloxymethyl)oxane
SMILESCOCC(COC)OCC1CCCCO1
InChIInChI=1S/C11H22O4/c1-12-7-11(8-13-2)15-9-10-5-3-4-6-14-10/h10-11H,3-9H2,1-2H3
InChIKeyLGCHLJWHMMWSKP-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.23
Rot. Bonds7

About 2-(1,3-dimethoxypropan-2-yloxymethyl)oxane

2-(1,3-dimethoxypropan-2-yloxymethyl)oxane (PubChem CID 58593438) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-(1,3-dimethoxypropan-2-yloxymethyl)oxane.

Molecular Properties

Compound Name2-(1,3-dimethoxypropan-2-yloxymethyl)oxane
PubChem CID58593438
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2-(1,3-dimethoxypropan-2-yloxymethyl)oxane
SMILESCOCC(COC)OCC1CCCCO1
InChIInChI=1S/C11H22O4/c1-12-7-11(8-13-2)15-9-10-5-3-4-6-14-10/h10-11H,3-9H2,1-2H3
InChIKeyLGCHLJWHMMWSKP-UHFFFAOYSA-N
XLogP1.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-methoxy-N-(oxan-2-ylmethyl)propan-2-amine
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2-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 91298433
2-methoxy-N-[2-(oxan-2-ylmethoxy)ethyl]ethanamine
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CID 58879072
3-(oxan-2-ylmethoxy)propan-1-ol
CID 63054995
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
2-chloro-3-methoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 65023581
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CID 62604472

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethoxypropan-2-yloxymethyl)oxane?
The IUPAC name of 2-(1,3-dimethoxypropan-2-yloxymethyl)oxane (CID 58593438) is 2-(1,3-dimethoxypropan-2-yloxymethyl)oxane.
What is the SMILES notation for 2-(1,3-dimethoxypropan-2-yloxymethyl)oxane?
The canonical SMILES for 2-(1,3-dimethoxypropan-2-yloxymethyl)oxane is COCC(COC)OCC1CCCCO1.
What is the InChIKey of 2-(1,3-dimethoxypropan-2-yloxymethyl)oxane?
The InChIKey is LGCHLJWHMMWSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-12-7-11(8-13-2)15-9-10-5-3-4-6-14-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(1,3-dimethoxypropan-2-yloxymethyl)oxane?
2-(1,3-dimethoxypropan-2-yloxymethyl)oxane has a molecular weight of 218.29 g/mol, XLogP of 1.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethoxypropan-2-yloxymethyl)oxane is sourced from PubChem (CID 58593438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).