2,6-dimethyloxane;methoxyethene

C10H20O2 — CID 176673730

IUPAC2,6-dimethyloxane;methoxyethene
SMILESC=COC.CC1CCCC(C)O1
InChIInChI=1S/C7H14O.C3H6O/c1-6-4-3-5-7(2)8-6;1-3-4-2/h6-7H,3-5H2,1-2H3;3H,1H2,2H3
InChIKeyGIIPCCPFHCVSCO-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.74
Rot. Bonds1

About 2,6-dimethyloxane;methoxyethene

2,6-dimethyloxane;methoxyethene (PubChem CID 176673730) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,6-dimethyloxane;methoxyethene.

Molecular Properties

Compound Name2,6-dimethyloxane;methoxyethene
PubChem CID176673730
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2,6-dimethyloxane;methoxyethene
SMILESC=COC.CC1CCCC(C)O1
InChIInChI=1S/C7H14O.C3H6O/c1-6-4-3-5-7(2)8-6;1-3-4-2/h6-7H,3-5H2,1-2H3;3H,1H2,2H3
InChIKeyGIIPCCPFHCVSCO-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(Ethenyloxy)octane
CID 21570654
Ethenoxycyclohexane;ethenoxyethane
CID 170851929
1,4-Bis(ethenoxy)hexane
CID 17776173
Ethenoxyethene;2-propyloxolane
CID 18405802
Ethenoxycyclohexane;ethenoxyethene
CID 21184928
4-Ethoxy-2,6-dimethyloxane
CID 58376118
1-Ethenoxy-6-propan-2-yloxyhexane
CID 59532985
2-(Ethenoxymethyl)oxane
CID 66367803
4-propoxytetrahydro-2H-pyran ethene
CID 67319195
1-Ethenoxy-4-ethoxycyclohexane
CID 87407943
1-Ethenoxy-6-pentan-3-yloxyhexane
CID 88908251
2,5-Bis(ethenoxy)heptane
CID 89104177

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyloxane;methoxyethene?
The IUPAC name of 2,6-dimethyloxane;methoxyethene (CID 176673730) is 2,6-dimethyloxane;methoxyethene.
What is the SMILES notation for 2,6-dimethyloxane;methoxyethene?
The canonical SMILES for 2,6-dimethyloxane;methoxyethene is C=COC.CC1CCCC(C)O1.
What is the InChIKey of 2,6-dimethyloxane;methoxyethene?
The InChIKey is GIIPCCPFHCVSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C3H6O/c1-6-4-3-5-7(2)8-6;1-3-4-2/h6-7H,3-5H2,1-2H3;3H,1H2,2H3.
What are the key properties of 2,6-dimethyloxane;methoxyethene?
2,6-dimethyloxane;methoxyethene has a molecular weight of 172.27 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyloxane;methoxyethene is sourced from PubChem (CID 176673730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).