7-methoxy-2,2-dimethyl-5-methylidene-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine

C12H20O3 — CID 145030205

IUPAC7-methoxy-2,2-dimethyl-5-methylidene-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine
SMILESC=C1CC(OC)CC2OC(C)(C)OCC12
InChIInChI=1S/C12H20O3/c1-8-5-9(13-4)6-11-10(8)7-14-12(2,3)15-11/h9-11H,1,5-7H2,2-4H3
InChIKeyAHUOCQBMBQSIMP-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.12
Rot. Bonds1

About 7-methoxy-2,2-dimethyl-5-methylidene-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine

7-methoxy-2,2-dimethyl-5-methylidene-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine (PubChem CID 145030205) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethyl-5-methylidene-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine.

Molecular Properties

Compound Name7-methoxy-2,2-dimethyl-5-methylidene-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine
PubChem CID145030205
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name7-methoxy-2,2-dimethyl-5-methylidene-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine
SMILESC=C1CC(OC)CC2OC(C)(C)OCC12
InChIInChI=1S/C12H20O3/c1-8-5-9(13-4)6-11-10(8)7-14-12(2,3)15-11/h9-11H,1,5-7H2,2-4H3
InChIKeyAHUOCQBMBQSIMP-UHFFFAOYSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-methoxy-2,2-dimethyl-5-methylidene-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine with MolForge

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Related Compounds

5-methoxy-2,2-dimethyl-1,3-dioxane
CID 59156430
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methoxyoxolan-3-one
CID 101124639
3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloxirane-2-carbaldehyde
CID 130035501
(1R,3S,5S,7S)-9,9-dimethyl-6-methylidene-2,8,10-trioxatricyclo[5.4.0.03,5]undecane
CID 122231149
(1R,6R)-8-methoxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecane
CID 71169382
[(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate
CID 22845692
(3R,4S)-1-but-3-enyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxyazetidin-2-one
CID 10729699
(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyoxolan-2-one
CID 71204937
4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethylcyclopentyl]-2,2-dimethyl-1,3-dioxolane
CID 70943603
(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 12874883
(3aR,5R,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 12874878
(1R,3S,7S,9S)-11,11-dimethyl-2,6,10,12-tetraoxatricyclo[7.4.0.03,7]tridecan-5-one
CID 101048529

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2-dimethyl-5-methylidene-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine?
The IUPAC name of 7-methoxy-2,2-dimethyl-5-methylidene-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine (CID 145030205) is 7-methoxy-2,2-dimethyl-5-methylidene-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine.
What is the SMILES notation for 7-methoxy-2,2-dimethyl-5-methylidene-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine?
The canonical SMILES for 7-methoxy-2,2-dimethyl-5-methylidene-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine is C=C1CC(OC)CC2OC(C)(C)OCC12.
What is the InChIKey of 7-methoxy-2,2-dimethyl-5-methylidene-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine?
The InChIKey is AHUOCQBMBQSIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-8-5-9(13-4)6-11-10(8)7-14-12(2,3)15-11/h9-11H,1,5-7H2,2-4H3.
What are the key properties of 7-methoxy-2,2-dimethyl-5-methylidene-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine?
7-methoxy-2,2-dimethyl-5-methylidene-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine has a molecular weight of 212.29 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethyl-5-methylidene-4,4a,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine is sourced from PubChem (CID 145030205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).