4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane

C11H18O3 — CID 10465336

IUPAC4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane
SMILESC=CCOC1COC(C)(C)OC1C=C
InChIInChI=1S/C11H18O3/c1-5-7-12-10-8-13-11(3,4)14-9(10)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyNFDMLDBWZRDWFO-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.90
Rot. Bonds4

About 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane

4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane (PubChem CID 10465336) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane.

Molecular Properties

Compound Name4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane
PubChem CID10465336
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane
SMILESC=CCOC1COC(C)(C)OC1C=C
InChIInChI=1S/C11H18O3/c1-5-7-12-10-8-13-11(3,4)14-9(10)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyNFDMLDBWZRDWFO-UHFFFAOYSA-N
XLogP1.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 11020641
(4S)-4-(hex-5-en-2-ynoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 9442589
(4R)-4-[(2S,3S)-3-ethenyloxiran-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 10511350
(4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine
CID 11335047
2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-dioxane
CID 134255054
(3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90211695
(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane
CID 124562439
2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane
CID 66757263
(4R,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
CID 89411691
(4S)-4-[(2S)-hex-5-en-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 135021066
(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol
CID 130148389
(1R,2S,6S,7S,9R)-7-[(2S,3S)-2,3-bis(prop-2-enoxy)-4-[[(1R,2S,6S,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]oxy]butoxy]-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 11456696

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane?
The IUPAC name of 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane (CID 10465336) is 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane.
What is the SMILES notation for 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane?
The canonical SMILES for 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane is C=CCOC1COC(C)(C)OC1C=C.
What is the InChIKey of 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane?
The InChIKey is NFDMLDBWZRDWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-5-7-12-10-8-13-11(3,4)14-9(10)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3.
What are the key properties of 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane?
4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane has a molecular weight of 198.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane is sourced from PubChem (CID 10465336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).