4-[(2E,4Z)-hepta-2,4-dien-3-yl]-2,2,5-trimethyl-1,3-dioxane

C14H24O2 — CID 142853682

IUPAC4-[(2E,4Z)-hepta-2,4-dien-3-yl]-2,2,5-trimethyl-1,3-dioxane
SMILESC/C=C(\C=C/CC)C1OC(C)(C)OCC1C
InChIInChI=1S/C14H24O2/c1-6-8-9-12(7-2)13-11(3)10-15-14(4,5)16-13/h7-9,11,13H,6,10H2,1-5H3/b9-8-,12-7+
InChIKeyLMYQNBHWGRDNMK-ZHCAKQDLSA-N
MW224.34 g/mol
LogP3.69
Rot. Bonds3

About 4-[(2E,4Z)-hepta-2,4-dien-3-yl]-2,2,5-trimethyl-1,3-dioxane

4-[(2E,4Z)-hepta-2,4-dien-3-yl]-2,2,5-trimethyl-1,3-dioxane (PubChem CID 142853682) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-[(2E,4Z)-hepta-2,4-dien-3-yl]-2,2,5-trimethyl-1,3-dioxane.

Molecular Properties

Compound Name4-[(2E,4Z)-hepta-2,4-dien-3-yl]-2,2,5-trimethyl-1,3-dioxane
PubChem CID142853682
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-[(2E,4Z)-hepta-2,4-dien-3-yl]-2,2,5-trimethyl-1,3-dioxane
SMILESC/C=C(\C=C/CC)C1OC(C)(C)OCC1C
InChIInChI=1S/C14H24O2/c1-6-8-9-12(7-2)13-11(3)10-15-14(4,5)16-13/h7-9,11,13H,6,10H2,1-5H3/b9-8-,12-7+
InChIKeyLMYQNBHWGRDNMK-ZHCAKQDLSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-hepta-2,4-dien-3-yl]-2,2,5-trimethyl-1,3-dioxane?
The IUPAC name of 4-[(2E,4Z)-hepta-2,4-dien-3-yl]-2,2,5-trimethyl-1,3-dioxane (CID 142853682) is 4-[(2E,4Z)-hepta-2,4-dien-3-yl]-2,2,5-trimethyl-1,3-dioxane.
What is the SMILES notation for 4-[(2E,4Z)-hepta-2,4-dien-3-yl]-2,2,5-trimethyl-1,3-dioxane?
The canonical SMILES for 4-[(2E,4Z)-hepta-2,4-dien-3-yl]-2,2,5-trimethyl-1,3-dioxane is C/C=C(\C=C/CC)C1OC(C)(C)OCC1C.
What is the InChIKey of 4-[(2E,4Z)-hepta-2,4-dien-3-yl]-2,2,5-trimethyl-1,3-dioxane?
The InChIKey is LMYQNBHWGRDNMK-ZHCAKQDLSA-N. The full InChI is InChI=1S/C14H24O2/c1-6-8-9-12(7-2)13-11(3)10-15-14(4,5)16-13/h7-9,11,13H,6,10H2,1-5H3/b9-8-,12-7+.
What are the key properties of 4-[(2E,4Z)-hepta-2,4-dien-3-yl]-2,2,5-trimethyl-1,3-dioxane?
4-[(2E,4Z)-hepta-2,4-dien-3-yl]-2,2,5-trimethyl-1,3-dioxane has a molecular weight of 224.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-hepta-2,4-dien-3-yl]-2,2,5-trimethyl-1,3-dioxane is sourced from PubChem (CID 142853682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).