(3E,5E)-4-(2-methylbutan-2-yloxymethyl)-5-[(2-methylpropan-2-yl)oxymethyl]octa-1,3,5,7-tetraene

C19H32O2 — CID 134402633

IUPAC(3E,5E)-4-(2-methylbutan-2-yloxymethyl)-5-[(2-methylpropan-2-yl)oxymethyl]octa-1,3,5,7-tetraene
SMILESC=C/C=C(COC(C)(C)C)\C(=C/C=C)COC(C)(C)CC
InChIInChI=1S/C19H32O2/c1-9-12-16(14-20-18(4,5)6)17(13-10-2)15-21-19(7,8)11-3/h9-10,12-13H,1-2,11,14-15H2,3-8H3/b16-12-,17-13-
InChIKeyKYIVINHVNVGKFR-MCOFMCJXSA-N
MW292.46 g/mol
LogP5.23
Rot. Bonds9

About (3E,5E)-4-(2-methylbutan-2-yloxymethyl)-5-[(2-methylpropan-2-yl)oxymethyl]octa-1,3,5,7-tetraene

(3E,5E)-4-(2-methylbutan-2-yloxymethyl)-5-[(2-methylpropan-2-yl)oxymethyl]octa-1,3,5,7-tetraene (PubChem CID 134402633) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is (3E,5E)-4-(2-methylbutan-2-yloxymethyl)-5-[(2-methylpropan-2-yl)oxymethyl]octa-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3E,5E)-4-(2-methylbutan-2-yloxymethyl)-5-[(2-methylpropan-2-yl)oxymethyl]octa-1,3,5,7-tetraene
PubChem CID134402633
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name(3E,5E)-4-(2-methylbutan-2-yloxymethyl)-5-[(2-methylpropan-2-yl)oxymethyl]octa-1,3,5,7-tetraene
SMILESC=C/C=C(COC(C)(C)C)\C(=C/C=C)COC(C)(C)CC
InChIInChI=1S/C19H32O2/c1-9-12-16(14-20-18(4,5)6)17(13-10-2)15-21-19(7,8)11-3/h9-10,12-13H,1-2,11,14-15H2,3-8H3/b16-12-,17-13-
InChIKeyKYIVINHVNVGKFR-MCOFMCJXSA-N
XLogP5.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.23
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 (3E,5E)-4-(2-methylbutan-2-yloxymethyl)-5-[(2-methylpropan-2-yl)oxymethyl]octa-1,3,5,7-tetraene?
The IUPAC name of (3E,5E)-4-(2-methylbutan-2-yloxymethyl)-5-[(2-methylpropan-2-yl)oxymethyl]octa-1,3,5,7-tetraene (CID 134402633) is (3E,5E)-4-(2-methylbutan-2-yloxymethyl)-5-[(2-methylpropan-2-yl)oxymethyl]octa-1,3,5,7-tetraene.
What is the SMILES notation for (3E,5E)-4-(2-methylbutan-2-yloxymethyl)-5-[(2-methylpropan-2-yl)oxymethyl]octa-1,3,5,7-tetraene?
The canonical SMILES for (3E,5E)-4-(2-methylbutan-2-yloxymethyl)-5-[(2-methylpropan-2-yl)oxymethyl]octa-1,3,5,7-tetraene is C=C/C=C(COC(C)(C)C)\C(=C/C=C)COC(C)(C)CC.
What is the InChIKey of (3E,5E)-4-(2-methylbutan-2-yloxymethyl)-5-[(2-methylpropan-2-yl)oxymethyl]octa-1,3,5,7-tetraene?
The InChIKey is KYIVINHVNVGKFR-MCOFMCJXSA-N. The full InChI is InChI=1S/C19H32O2/c1-9-12-16(14-20-18(4,5)6)17(13-10-2)15-21-19(7,8)11-3/h9-10,12-13H,1-2,11,14-15H2,3-8H3/b16-12-,17-13-.
What are the key properties of (3E,5E)-4-(2-methylbutan-2-yloxymethyl)-5-[(2-methylpropan-2-yl)oxymethyl]octa-1,3,5,7-tetraene?
(3E,5E)-4-(2-methylbutan-2-yloxymethyl)-5-[(2-methylpropan-2-yl)oxymethyl]octa-1,3,5,7-tetraene has a molecular weight of 292.46 g/mol, XLogP of 5.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4-(2-methylbutan-2-yloxymethyl)-5-[(2-methylpropan-2-yl)oxymethyl]octa-1,3,5,7-tetraene is sourced from PubChem (CID 134402633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).