2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxane

C14H24O2 — CID 5356478

IUPAC2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxane
SMILESCC(C)=CCC/C(C)=C\C1OCCC(C)O1
InChIInChI=1S/C14H24O2/c1-11(2)6-5-7-12(3)10-14-15-9-8-13(4)16-14/h6,10,13-14H,5,7-9H2,1-4H3/b12-10-
InChIKeyTXTBETUBCFNUNQ-BENRWUELSA-N
MW224.34 g/mol
LogP3.83
Rot. Bonds4

About 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxane

2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxane (PubChem CID 5356478) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxane
PubChem CID5356478
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxane
SMILESCC(C)=CCC/C(C)=C\C1OCCC(C)O1
InChIInChI=1S/C14H24O2/c1-11(2)6-5-7-12(3)10-14-15-9-8-13(4)16-14/h6,10,13-14H,5,7-9H2,1-4H3/b12-10-
InChIKeyTXTBETUBCFNUNQ-BENRWUELSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.83
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

Citral diethyl acetal
CID 5365794
Neral diethyl acetal
CID 5772036
2-[(2E)-3,7-dimethylocta-2,6-dienoxy]tetrahydropyran
CID 10889987
(2E)-1,1-diethoxy-3,7-dimethylocta-2,6-diene
CID 24113
2,6-Octadiene, 1-(1-ethoxyethoxy)-3,7-dimethyl-, (2E)-
CID 5366408
1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)-
CID 97843
1,3-Dioxane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4,4,6-trimethyl-
CID 6437441
2,6-Octadiene, 1-(1-ethoxyethoxy)-3,7-dimethyl-, (2Z)-
CID 6437573
all-trans-Farnesol Tetrahydropyranyl Ether
CID 10638386
2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]tetrahydropyran
CID 10861694
CID 109256
CID 109256
2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1,3-dioxane
CID 793796

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxane?
The IUPAC name of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxane (CID 5356478) is 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxane.
What is the SMILES notation for 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxane?
The canonical SMILES for 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxane is CC(C)=CCC/C(C)=C\C1OCCC(C)O1.
What is the InChIKey of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxane?
The InChIKey is TXTBETUBCFNUNQ-BENRWUELSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(2)6-5-7-12(3)10-14-15-9-8-13(4)16-14/h6,10,13-14H,5,7-9H2,1-4H3/b12-10-.
What are the key properties of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxane?
2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxane has a molecular weight of 224.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxane is sourced from PubChem (CID 5356478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).