2-[(E)-3-[(4-methoxyphenyl)methoxy]-2-methylprop-1-enyl]-4,6-dimethyl-1,3-dioxane

C18H26O4 — CID 102353596

IUPAC2-[(E)-3-[(4-methoxyphenyl)methoxy]-2-methylprop-1-enyl]-4,6-dimethyl-1,3-dioxane
SMILESCOc1ccc(COC/C(C)=C/C2OC(C)CC(C)O2)cc1
InChIInChI=1S/C18H26O4/c1-13(9-18-21-14(2)10-15(3)22-18)11-20-12-16-5-7-17(19-4)8-6-16/h5-9,14-15,18H,10-12H2,1-4H3/b13-9+
InChIKeyOOICOVVLNWRXBQ-UKTHLTGXSA-N
MW306.40 g/mol
LogP3.70
Rot. Bonds6

About 2-[(E)-3-[(4-methoxyphenyl)methoxy]-2-methylprop-1-enyl]-4,6-dimethyl-1,3-dioxane

2-[(E)-3-[(4-methoxyphenyl)methoxy]-2-methylprop-1-enyl]-4,6-dimethyl-1,3-dioxane (PubChem CID 102353596) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-[(E)-3-[(4-methoxyphenyl)methoxy]-2-methylprop-1-enyl]-4,6-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-[(E)-3-[(4-methoxyphenyl)methoxy]-2-methylprop-1-enyl]-4,6-dimethyl-1,3-dioxane
PubChem CID102353596
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name2-[(E)-3-[(4-methoxyphenyl)methoxy]-2-methylprop-1-enyl]-4,6-dimethyl-1,3-dioxane
SMILESCOc1ccc(COC/C(C)=C/C2OC(C)CC(C)O2)cc1
InChIInChI=1S/C18H26O4/c1-13(9-18-21-14(2)10-15(3)22-18)11-20-12-16-5-7-17(19-4)8-6-16/h5-9,14-15,18H,10-12H2,1-4H3/b13-9+
InChIKeyOOICOVVLNWRXBQ-UKTHLTGXSA-N
XLogP3.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(E)-3-[(4-methoxyphenyl)methoxy]-2-methylprop-1-enyl]-4,6-dimethyl-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

(E)-4-[(4-methoxyphenyl)methoxy]-3-methylbut-2-enal
CID 101450016
1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene
CID 10798623
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpent-3-en-2-ol
CID 25257485
(4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol
CID 171123464
(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol
CID 122398669
(4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane
CID 25233008
[(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol
CID 102300419
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
(2S,3R,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]-5-methyloxolane
CID 59994424
[(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]methanol
CID 11053700
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
cis-(1S,2R)-2-[(4-methoxyphenyl)methoxymethyl]cyclopropane-1-carbaldehyde
CID 102072898

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-[(4-methoxyphenyl)methoxy]-2-methylprop-1-enyl]-4,6-dimethyl-1,3-dioxane?
The IUPAC name of 2-[(E)-3-[(4-methoxyphenyl)methoxy]-2-methylprop-1-enyl]-4,6-dimethyl-1,3-dioxane (CID 102353596) is 2-[(E)-3-[(4-methoxyphenyl)methoxy]-2-methylprop-1-enyl]-4,6-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-[(E)-3-[(4-methoxyphenyl)methoxy]-2-methylprop-1-enyl]-4,6-dimethyl-1,3-dioxane?
The canonical SMILES for 2-[(E)-3-[(4-methoxyphenyl)methoxy]-2-methylprop-1-enyl]-4,6-dimethyl-1,3-dioxane is COc1ccc(COC/C(C)=C/C2OC(C)CC(C)O2)cc1.
What is the InChIKey of 2-[(E)-3-[(4-methoxyphenyl)methoxy]-2-methylprop-1-enyl]-4,6-dimethyl-1,3-dioxane?
The InChIKey is OOICOVVLNWRXBQ-UKTHLTGXSA-N. The full InChI is InChI=1S/C18H26O4/c1-13(9-18-21-14(2)10-15(3)22-18)11-20-12-16-5-7-17(19-4)8-6-16/h5-9,14-15,18H,10-12H2,1-4H3/b13-9+.
What are the key properties of 2-[(E)-3-[(4-methoxyphenyl)methoxy]-2-methylprop-1-enyl]-4,6-dimethyl-1,3-dioxane?
2-[(E)-3-[(4-methoxyphenyl)methoxy]-2-methylprop-1-enyl]-4,6-dimethyl-1,3-dioxane has a molecular weight of 306.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-[(4-methoxyphenyl)methoxy]-2-methylprop-1-enyl]-4,6-dimethyl-1,3-dioxane is sourced from PubChem (CID 102353596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).