3-(1-methoxyethyl)oxane

C8H16O2 — CID 57141283

IUPAC3-(1-methoxyethyl)oxane
SMILESCOC(C)C1CCCOC1
InChIInChI=1S/C8H16O2/c1-7(9-2)8-4-3-5-10-6-8/h7-8H,3-6H2,1-2H3
InChIKeyICOQKKFOFPMSOK-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.45
Rot. Bonds2

About 3-(1-methoxyethyl)oxane

3-(1-methoxyethyl)oxane (PubChem CID 57141283) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-(1-methoxyethyl)oxane.

Molecular Properties

Compound Name3-(1-methoxyethyl)oxane
PubChem CID57141283
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-(1-methoxyethyl)oxane
SMILESCOC(C)C1CCCOC1
InChIInChI=1S/C8H16O2/c1-7(9-2)8-4-3-5-10-6-8/h7-8H,3-6H2,1-2H3
InChIKeyICOQKKFOFPMSOK-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Oxiran-2-yl)oxane
CID 64138143
(2R,4S,5S,6S)-2-fluoro-4-methoxy-2,5,6-trimethyloxane
CID 144251762
5-(Methoxymethyl)-2-(trifluoromethyl)oxane
CID 166766046
2,3,5-Trimethyloxane
CID 59959641
2,6-Dimethyltetrahydropyran-3-carbinol
CID 129888438
1R-Ethoxy-3-cis-methoxy-5-cis-methylcyclohexane
CID 547218
1R-Ethoxy-3-cis-methoxy-2-trans-methylcyclohexane
CID 549300
1,3-Diethoxy-2-methylcyclohexane
CID 551673
1,3-Diethoxy-5-methylcyclohexane
CID 551764
4-[[(2R)-oxiran-2-yl]methyl]oxane
CID 15939149
(2R,3R,5R)-2,3,5-trimethyloxane
CID 21680007
(2R,3S,5R)-2,3,5-trimethyloxane
CID 21680008

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethyl)oxane?
The IUPAC name of 3-(1-methoxyethyl)oxane (CID 57141283) is 3-(1-methoxyethyl)oxane.
What is the SMILES notation for 3-(1-methoxyethyl)oxane?
The canonical SMILES for 3-(1-methoxyethyl)oxane is COC(C)C1CCCOC1.
What is the InChIKey of 3-(1-methoxyethyl)oxane?
The InChIKey is ICOQKKFOFPMSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(9-2)8-4-3-5-10-6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(1-methoxyethyl)oxane?
3-(1-methoxyethyl)oxane has a molecular weight of 144.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethyl)oxane is sourced from PubChem (CID 57141283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).