(2E,4E)-7-(oxan-2-yloxy)hepta-2,4-dien-1-ol

C12H20O3 — CID 14888425

IUPAC(2E,4E)-7-(oxan-2-yloxy)hepta-2,4-dien-1-ol
SMILESOC/C=C/C=C/CCOC1CCCCO1
InChIInChI=1S/C12H20O3/c13-9-5-2-1-3-6-10-14-12-8-4-7-11-15-12/h1-3,5,12-13H,4,6-11H2/b3-1+,5-2+
InChIKeyBIXPPAGUFYZWID-MGBLWKCQSA-N
MW212.29 g/mol
LogP2.02
Rot. Bonds6

About (2E,4E)-7-(oxan-2-yloxy)hepta-2,4-dien-1-ol

(2E,4E)-7-(oxan-2-yloxy)hepta-2,4-dien-1-ol (PubChem CID 14888425) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2E,4E)-7-(oxan-2-yloxy)hepta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-7-(oxan-2-yloxy)hepta-2,4-dien-1-ol
PubChem CID14888425
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(2E,4E)-7-(oxan-2-yloxy)hepta-2,4-dien-1-ol
SMILESOC/C=C/C=C/CCOC1CCCCO1
InChIInChI=1S/C12H20O3/c13-9-5-2-1-3-6-10-14-12-8-4-7-11-15-12/h1-3,5,12-13H,4,6-11H2/b3-1+,5-2+
InChIKeyBIXPPAGUFYZWID-MGBLWKCQSA-N
XLogP2.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-7-(oxan-2-yloxy)hepta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-7-(oxan-2-yloxy)hepta-2,4-dien-1-ol (CID 14888425) is (2E,4E)-7-(oxan-2-yloxy)hepta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-7-(oxan-2-yloxy)hepta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-7-(oxan-2-yloxy)hepta-2,4-dien-1-ol is OC/C=C/C=C/CCOC1CCCCO1.
What is the InChIKey of (2E,4E)-7-(oxan-2-yloxy)hepta-2,4-dien-1-ol?
The InChIKey is BIXPPAGUFYZWID-MGBLWKCQSA-N. The full InChI is InChI=1S/C12H20O3/c13-9-5-2-1-3-6-10-14-12-8-4-7-11-15-12/h1-3,5,12-13H,4,6-11H2/b3-1+,5-2+.
What are the key properties of (2E,4E)-7-(oxan-2-yloxy)hepta-2,4-dien-1-ol?
(2E,4E)-7-(oxan-2-yloxy)hepta-2,4-dien-1-ol has a molecular weight of 212.29 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-7-(oxan-2-yloxy)hepta-2,4-dien-1-ol is sourced from PubChem (CID 14888425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).