3-(1-methoxyethyl)-4-methylideneoxane

C9H16O2 — CID 13227833

IUPAC3-(1-methoxyethyl)-4-methylideneoxane
SMILESC=C1CCOCC1C(C)OC
InChIInChI=1S/C9H16O2/c1-7-4-5-11-6-9(7)8(2)10-3/h8-9H,1,4-6H2,2-3H3
InChIKeyLUTIGAWCAJBKRZ-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.61
Rot. Bonds2

About 3-(1-methoxyethyl)-4-methylideneoxane

3-(1-methoxyethyl)-4-methylideneoxane (PubChem CID 13227833) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-(1-methoxyethyl)-4-methylideneoxane.

Molecular Properties

Compound Name3-(1-methoxyethyl)-4-methylideneoxane
PubChem CID13227833
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-(1-methoxyethyl)-4-methylideneoxane
SMILESC=C1CCOCC1C(C)OC
InChIInChI=1S/C9H16O2/c1-7-4-5-11-6-9(7)8(2)10-3/h8-9H,1,4-6H2,2-3H3
InChIKeyLUTIGAWCAJBKRZ-UHFFFAOYSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-2,2,5-trimethyl-4-[(2S)-3-methylbut-3-en-2-yl]-1,3-dioxane
CID 134937906
2,6-Dimethyl-3-prop-1-en-2-yloxane
CID 3833578
(2S,6R)-2,6-dimethyl-4-(2-methylprop-2-enyl)oxane
CID 68217092
2-Methyl-4-prop-1-en-2-yloxane
CID 68321307
2,3,6-Trimethyl-4-methylideneoxane
CID 89122007
(2R)-2-methyl-4-prop-1-en-2-yloxane
CID 90152455
(2S,4S)-4-methoxy-2,4-dimethyl-6-methylideneoxane
CID 163555008
(2S,3R,4S)-6-ethenylidene-4-methoxy-2,3-dimethyloxane
CID 163669399
(2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane
CID 167458888
(5R)-3-[(4S)-4-methoxy-5-methylnon-1-en-2-yl]-5-methyloxane
CID 173320025
3-[1-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176602951
3-[1-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176603720

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethyl)-4-methylideneoxane?
The IUPAC name of 3-(1-methoxyethyl)-4-methylideneoxane (CID 13227833) is 3-(1-methoxyethyl)-4-methylideneoxane.
What is the SMILES notation for 3-(1-methoxyethyl)-4-methylideneoxane?
The canonical SMILES for 3-(1-methoxyethyl)-4-methylideneoxane is C=C1CCOCC1C(C)OC.
What is the InChIKey of 3-(1-methoxyethyl)-4-methylideneoxane?
The InChIKey is LUTIGAWCAJBKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-4-5-11-6-9(7)8(2)10-3/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 3-(1-methoxyethyl)-4-methylideneoxane?
3-(1-methoxyethyl)-4-methylideneoxane has a molecular weight of 156.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethyl)-4-methylideneoxane is sourced from PubChem (CID 13227833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).