(2E,4Z)-3-(2-propan-2-yloxypropan-2-yloxy)octa-2,4-diene

C14H26O2 — CID 58868373

IUPAC(2E,4Z)-3-(2-propan-2-yloxypropan-2-yloxy)octa-2,4-diene
SMILESC/C=C(\C=C/CCC)OC(C)(C)OC(C)C
InChIInChI=1S/C14H26O2/c1-7-9-10-11-13(8-2)16-14(5,6)15-12(3)4/h8,10-12H,7,9H2,1-6H3/b11-10-,13-8+
InChIKeyJIAYMOAQZFOEBY-ANOMLPRKSA-N
MW226.36 g/mol
LogP4.42
Rot. Bonds7

About (2E,4Z)-3-(2-propan-2-yloxypropan-2-yloxy)octa-2,4-diene

(2E,4Z)-3-(2-propan-2-yloxypropan-2-yloxy)octa-2,4-diene (PubChem CID 58868373) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (2E,4Z)-3-(2-propan-2-yloxypropan-2-yloxy)octa-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-3-(2-propan-2-yloxypropan-2-yloxy)octa-2,4-diene
PubChem CID58868373
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(2E,4Z)-3-(2-propan-2-yloxypropan-2-yloxy)octa-2,4-diene
SMILESC/C=C(\C=C/CCC)OC(C)(C)OC(C)C
InChIInChI=1S/C14H26O2/c1-7-9-10-11-13(8-2)16-14(5,6)15-12(3)4/h8,10-12H,7,9H2,1-6H3/b11-10-,13-8+
InChIKeyJIAYMOAQZFOEBY-ANOMLPRKSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-(2-propan-2-yloxypropan-2-yloxy)octa-2,4-diene?
The IUPAC name of (2E,4Z)-3-(2-propan-2-yloxypropan-2-yloxy)octa-2,4-diene (CID 58868373) is (2E,4Z)-3-(2-propan-2-yloxypropan-2-yloxy)octa-2,4-diene.
What is the SMILES notation for (2E,4Z)-3-(2-propan-2-yloxypropan-2-yloxy)octa-2,4-diene?
The canonical SMILES for (2E,4Z)-3-(2-propan-2-yloxypropan-2-yloxy)octa-2,4-diene is C/C=C(\C=C/CCC)OC(C)(C)OC(C)C.
What is the InChIKey of (2E,4Z)-3-(2-propan-2-yloxypropan-2-yloxy)octa-2,4-diene?
The InChIKey is JIAYMOAQZFOEBY-ANOMLPRKSA-N. The full InChI is InChI=1S/C14H26O2/c1-7-9-10-11-13(8-2)16-14(5,6)15-12(3)4/h8,10-12H,7,9H2,1-6H3/b11-10-,13-8+.
What are the key properties of (2E,4Z)-3-(2-propan-2-yloxypropan-2-yloxy)octa-2,4-diene?
(2E,4Z)-3-(2-propan-2-yloxypropan-2-yloxy)octa-2,4-diene has a molecular weight of 226.36 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-(2-propan-2-yloxypropan-2-yloxy)octa-2,4-diene is sourced from PubChem (CID 58868373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).