4-ethyl-6-methyl-2-[(3E,5Z)-2-methylocta-3,5,7-trien-4-yl]-1,3-dioxane

C16H26O2 — CID 89284187

IUPAC4-ethyl-6-methyl-2-[(3E,5Z)-2-methylocta-3,5,7-trien-4-yl]-1,3-dioxane
SMILESC=C/C=C\C(=C/C(C)C)C1OC(C)CC(CC)O1
InChIInChI=1S/C16H26O2/c1-6-8-9-14(10-12(3)4)16-17-13(5)11-15(7-2)18-16/h6,8-10,12-13,15-16H,1,7,11H2,2-5H3/b9-8-,14-10+
InChIKeyCXOBOJPNJNQURW-MYSCJDEHSA-N
MW250.38 g/mol
LogP4.24
Rot. Bonds5

About 4-ethyl-6-methyl-2-[(3E,5Z)-2-methylocta-3,5,7-trien-4-yl]-1,3-dioxane

4-ethyl-6-methyl-2-[(3E,5Z)-2-methylocta-3,5,7-trien-4-yl]-1,3-dioxane (PubChem CID 89284187) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 4-ethyl-6-methyl-2-[(3E,5Z)-2-methylocta-3,5,7-trien-4-yl]-1,3-dioxane.

Molecular Properties

Compound Name4-ethyl-6-methyl-2-[(3E,5Z)-2-methylocta-3,5,7-trien-4-yl]-1,3-dioxane
PubChem CID89284187
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name4-ethyl-6-methyl-2-[(3E,5Z)-2-methylocta-3,5,7-trien-4-yl]-1,3-dioxane
SMILESC=C/C=C\C(=C/C(C)C)C1OC(C)CC(CC)O1
InChIInChI=1S/C16H26O2/c1-6-8-9-14(10-12(3)4)16-17-13(5)11-15(7-2)18-16/h6,8-10,12-13,15-16H,1,7,11H2,2-5H3/b9-8-,14-10+
InChIKeyCXOBOJPNJNQURW-MYSCJDEHSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-6-methyl-2-[(3E,5Z)-2-methylocta-3,5,7-trien-4-yl]-1,3-dioxane with MolForge

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Related Compounds

5-Butyl-2-[4-(2,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]-1,3-dioxane
CID 56638704
(2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane
CID 11994598
3-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl-trimethylsilane
CID 134866038
(4S,5R,6S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane
CID 135040153
(4R,5S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane
CID 135040186
lithium (2R,6R)-4,4,6-trimethyl-2-phenyl-1,3-dioxane
CID 135082594
(4S,6S)-4-ethyl-2,2-dimethyl-6-[(E)-3-methylbut-1-enyl]-1,3-dioxane
CID 59873103
2-[1-(2,5-Dimethylcyclopenta-1,4-dien-1-yl)ethoxy]oxane
CID 69305784
2-Butyl-4-(2-methylprop-1-enyl)-6-propan-2-yl-1,3-dioxane
CID 70821701
5-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienoxy]ethoxy]cyclohexa-1,3-diene
CID 88581597
2-(4,8-Dimethylnona-1,3,7-trienyl)-2,5-dimethyl-1,3-dioxane
CID 90238481
(4R)-2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3-dioxane
CID 117767378

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methyl-2-[(3E,5Z)-2-methylocta-3,5,7-trien-4-yl]-1,3-dioxane?
The IUPAC name of 4-ethyl-6-methyl-2-[(3E,5Z)-2-methylocta-3,5,7-trien-4-yl]-1,3-dioxane (CID 89284187) is 4-ethyl-6-methyl-2-[(3E,5Z)-2-methylocta-3,5,7-trien-4-yl]-1,3-dioxane.
What is the SMILES notation for 4-ethyl-6-methyl-2-[(3E,5Z)-2-methylocta-3,5,7-trien-4-yl]-1,3-dioxane?
The canonical SMILES for 4-ethyl-6-methyl-2-[(3E,5Z)-2-methylocta-3,5,7-trien-4-yl]-1,3-dioxane is C=C/C=C\C(=C/C(C)C)C1OC(C)CC(CC)O1.
What is the InChIKey of 4-ethyl-6-methyl-2-[(3E,5Z)-2-methylocta-3,5,7-trien-4-yl]-1,3-dioxane?
The InChIKey is CXOBOJPNJNQURW-MYSCJDEHSA-N. The full InChI is InChI=1S/C16H26O2/c1-6-8-9-14(10-12(3)4)16-17-13(5)11-15(7-2)18-16/h6,8-10,12-13,15-16H,1,7,11H2,2-5H3/b9-8-,14-10+.
What are the key properties of 4-ethyl-6-methyl-2-[(3E,5Z)-2-methylocta-3,5,7-trien-4-yl]-1,3-dioxane?
4-ethyl-6-methyl-2-[(3E,5Z)-2-methylocta-3,5,7-trien-4-yl]-1,3-dioxane has a molecular weight of 250.38 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methyl-2-[(3E,5Z)-2-methylocta-3,5,7-trien-4-yl]-1,3-dioxane is sourced from PubChem (CID 89284187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).