(1Z,3E)-1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene

C12H22O2 — CID 12735281

IUPAC(1Z,3E)-1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene
SMILESCC(C)(C)O/C=C\C=C\OC(C)(C)C
InChIInChI=1S/C12H22O2/c1-11(2,3)13-9-7-8-10-14-12(4,5)6/h7-10H,1-6H3/b9-7-,10-8+
InChIKeyWUWGWKUDZRXHDN-FKJILZIQSA-N
MW198.31 g/mol
LogP3.64
Rot. Bonds3

About (1Z,3E)-1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene

(1Z,3E)-1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene (PubChem CID 12735281) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (1Z,3E)-1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene.

Molecular Properties

Compound Name(1Z,3E)-1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene
PubChem CID12735281
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(1Z,3E)-1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene
SMILESCC(C)(C)O/C=C\C=C\OC(C)(C)C
InChIInChI=1S/C12H22O2/c1-11(2,3)13-9-7-8-10-14-12(4,5)6/h7-10H,1-6H3/b9-7-,10-8+
InChIKeyWUWGWKUDZRXHDN-FKJILZIQSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

t-Butoxypropene
CID 138149
cis-1-Propenyl tert-butyl ether
CID 5463216
Ether, tert-butyl propenyl, (E)-
CID 5463217
2-[(1E)-buta-1,3-dienoxy]-2-methylpropane
CID 13764368
(Z)-1-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 102396972
(1E,3E)-1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene
CID 12735279
(1Z,3Z)-1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene
CID 12735280
2-[(1Z)-buta-1,3-dienoxy]-2-methylpropane
CID 13764369
(1E)-3-methyl-1-[(2-methylpropan-2-yl)oxy]buta-1,3-diene
CID 15032896
(1E)-3-methoxy-1-[(2-methylpropan-2-yl)oxy]buta-1,3-diene
CID 19873311
(E)-1-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 22498064
1-[(2-Methylpropan-2-yl)oxy]but-1-ene
CID 53875540

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene?
The IUPAC name of (1Z,3E)-1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene (CID 12735281) is (1Z,3E)-1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene.
What is the SMILES notation for (1Z,3E)-1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene?
The canonical SMILES for (1Z,3E)-1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene is CC(C)(C)O/C=C\C=C\OC(C)(C)C.
What is the InChIKey of (1Z,3E)-1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene?
The InChIKey is WUWGWKUDZRXHDN-FKJILZIQSA-N. The full InChI is InChI=1S/C12H22O2/c1-11(2,3)13-9-7-8-10-14-12(4,5)6/h7-10H,1-6H3/b9-7-,10-8+.
What are the key properties of (1Z,3E)-1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene?
(1Z,3E)-1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene has a molecular weight of 198.31 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene is sourced from PubChem (CID 12735281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).