2,2,5,5-tetramethyl-4-prop-2-enyl-1,3-dioxane

C11H20O2 — CID 46919561

IUPAC2,2,5,5-tetramethyl-4-prop-2-enyl-1,3-dioxane
SMILESC=CCC1OC(C)(C)OCC1(C)C
InChIInChI=1S/C11H20O2/c1-6-7-9-10(2,3)8-12-11(4,5)13-9/h6,9H,1,7-8H2,2-5H3
InChIKeyPGJGHNKSFXVQJV-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds2

About 2,2,5,5-tetramethyl-4-prop-2-enyl-1,3-dioxane

2,2,5,5-tetramethyl-4-prop-2-enyl-1,3-dioxane (PubChem CID 46919561) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-prop-2-enyl-1,3-dioxane.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-prop-2-enyl-1,3-dioxane
PubChem CID46919561
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2,2,5,5-tetramethyl-4-prop-2-enyl-1,3-dioxane
SMILESC=CCC1OC(C)(C)OCC1(C)C
InChIInChI=1S/C11H20O2/c1-6-7-9-10(2,3)8-12-11(4,5)13-9/h6,9H,1,7-8H2,2-5H3
InChIKeyPGJGHNKSFXVQJV-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
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

cis-5-Allyl-5-(1-methoxyethyl)-2-methyl-1,3-dioxane
CID 31455
cis-5-Allyl-2-methyl-5-(1-propoxyethyl)-1,3-dioxane
CID 31458
2-(Propan-2-yl)-5-(prop-2-en-1-yl)-5-(1-propoxyethyl)-1,3-dioxane
CID 31459
5-(1-Methoxyethyl)-2-methyl-5-(prop-2-en-1-yl)-1,3-dioxane
CID 5360715
5-(1-Methoxyethyl)-2-(propan-2-yl)-5-(prop-2-en-1-yl)-1,3-dioxane
CID 5360716
2-Methyl-5-(prop-2-en-1-yl)-5-(1-propoxyethyl)-1,3-dioxane
CID 5360717
trans-5-Allyl-2-isopropyl-5-(1-propoxyethyl)-1,3-dioxane
CID 5360718
5,5-Diallyl-2,2-dimethyl-1,3-dioxane
CID 10932381
(4S)-2,2-dimethyl-4-(2-methylbut-3-en-2-yl)-1,3-dioxane
CID 54042978
(2S,4S,6S)-2-tert-butyl-4-methyl-6-prop-2-enyl-1,3-dioxane
CID 11745630
(4R,5S)-4-[(2R)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxane
CID 11789899
(2S)-6,6-dimethyl-2-prop-2-enyl-4,8-dioxaspiro[2.5]octane
CID 15794103

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-prop-2-enyl-1,3-dioxane?
The IUPAC name of 2,2,5,5-tetramethyl-4-prop-2-enyl-1,3-dioxane (CID 46919561) is 2,2,5,5-tetramethyl-4-prop-2-enyl-1,3-dioxane.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-prop-2-enyl-1,3-dioxane?
The canonical SMILES for 2,2,5,5-tetramethyl-4-prop-2-enyl-1,3-dioxane is C=CCC1OC(C)(C)OCC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-prop-2-enyl-1,3-dioxane?
The InChIKey is PGJGHNKSFXVQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-6-7-9-10(2,3)8-12-11(4,5)13-9/h6,9H,1,7-8H2,2-5H3.
What are the key properties of 2,2,5,5-tetramethyl-4-prop-2-enyl-1,3-dioxane?
2,2,5,5-tetramethyl-4-prop-2-enyl-1,3-dioxane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-prop-2-enyl-1,3-dioxane is sourced from PubChem (CID 46919561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).