4-ethylidene-2,2-dimethyl-1,3-dioxane

C8H14O2 — CID 139911290

IUPAC4-ethylidene-2,2-dimethyl-1,3-dioxane
SMILESCC=C1CCOC(C)(C)O1
InChIInChI=1S/C8H14O2/c1-4-7-5-6-9-8(2,3)10-7/h4H,5-6H2,1-3H3
InChIKeyVPTQFSPUAWLBAU-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.06
Rot. Bonds

About 4-ethylidene-2,2-dimethyl-1,3-dioxane

4-ethylidene-2,2-dimethyl-1,3-dioxane (PubChem CID 139911290) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-ethylidene-2,2-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name4-ethylidene-2,2-dimethyl-1,3-dioxane
PubChem CID139911290
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-ethylidene-2,2-dimethyl-1,3-dioxane
SMILESCC=C1CCOC(C)(C)O1
InChIInChI=1S/C8H14O2/c1-4-7-5-6-9-8(2,3)10-7/h4H,5-6H2,1-3H3
InChIKeyVPTQFSPUAWLBAU-UHFFFAOYSA-N
XLogP2.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E)-4-ethylidenespiro[1,3-dioxane-2,3'-1,5-dihydro-2,4-benzodioxepine]
CID 163862867
4-ethylidene-1,3-dioxan-2-one
CID 123345115
[(E)-(2,2-dimethyl-1,3-dioxolan-4-ylidene)methyl] acetate
CID 101424507
2,2-dimethyl-1,3-dioxolane;formic acid
CID 142542540
2,2-dimethyloxolan-3-one
CID 13010294
(2R)-2-ethenyl-2-methyl-3-methylideneoxolane
CID 163379901
2,2-dimethyl-1,3-dioxolane;ethane;propane
CID 143842052
2,2,6,6-tetramethyl-1,3-dioxocane
CID 100919422
(2-cyclohexyl-2-ethyl-1,3-dioxan-4-ylidene)methylsilane
CID 173372067
2,2-dimethyl-1,3-dioxolane;1,3-dioxolane
CID 158752243
(E)-2-(6,6-dimethyl-2,3-dihydropyran-4-yl)ethenamine
CID 166966843
6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol
CID 142603340

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-2,2-dimethyl-1,3-dioxane?
The IUPAC name of 4-ethylidene-2,2-dimethyl-1,3-dioxane (CID 139911290) is 4-ethylidene-2,2-dimethyl-1,3-dioxane.
What is the SMILES notation for 4-ethylidene-2,2-dimethyl-1,3-dioxane?
The canonical SMILES for 4-ethylidene-2,2-dimethyl-1,3-dioxane is CC=C1CCOC(C)(C)O1.
What is the InChIKey of 4-ethylidene-2,2-dimethyl-1,3-dioxane?
The InChIKey is VPTQFSPUAWLBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-7-5-6-9-8(2,3)10-7/h4H,5-6H2,1-3H3.
What are the key properties of 4-ethylidene-2,2-dimethyl-1,3-dioxane?
4-ethylidene-2,2-dimethyl-1,3-dioxane has a molecular weight of 142.20 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-2,2-dimethyl-1,3-dioxane is sourced from PubChem (CID 139911290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).