(1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene

C12H18O3 — CID 101010584

IUPAC(1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene
SMILESCO/C=C/C(C)=C\O/C=C(C)/C=C/OC
InChIInChI=1S/C12H18O3/c1-11(5-7-13-3)9-15-10-12(2)6-8-14-4/h5-10H,1-4H3/b7-5+,8-6+,11-9-,12-10+
InChIKeyBURPGMYTWNZHRH-DEHUIYDQSA-N
MW210.27 g/mol
LogP3.13
Rot. Bonds6

About (1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene

(1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene (PubChem CID 101010584) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene
PubChem CID101010584
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene
SMILESCO/C=C/C(C)=C\O/C=C(C)/C=C/OC
InChIInChI=1S/C12H18O3/c1-11(5-7-13-3)9-15-10-12(2)6-8-14-4/h5-10H,1-4H3/b7-5+,8-6+,11-9-,12-10+
InChIKeyBURPGMYTWNZHRH-DEHUIYDQSA-N
XLogP3.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[(1E,3E)-4-methoxy-3-methylbuta-1,3-dienyl] acetate
CID 88823563
(1E)-1-methoxy-3-methylbuta-1,3-diene
CID 10877062
[(1E,3Z)-4-acetyloxy-3-methylbuta-1,3-dienyl] acetate
CID 15916858
(1Z,3E,5E)-3-ethyl-1-methoxy-5-methylhepta-1,3,5-triene
CID 100961260
sodium;hydride;3-methoxyprop-2-enoic acid
CID 175287980
1-chloro-4-[(1E,3E)-4-methoxy-2-methylbuta-1,3-dienyl]sulfanylbenzene
CID 10705249
5-methoxypenta-2,4-dienoic acid
CID 54531073
bis((1E)-3-methanidyl-1-methoxybuta-1,3-diene);yttrium
CID 135037431
(E)-1-iodo-2-methoxyethene
CID 140517862
1-methoxy-2-methylprop-1-ene
CID 551188
4-methoxybuta-1,3-dien-2-yl(trimethyl)silane
CID 86613460
(E)-4-methoxy-2-oxobut-3-enoyl chloride
CID 15651848

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene?
The IUPAC name of (1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene (CID 101010584) is (1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene.
What is the SMILES notation for (1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene?
The canonical SMILES for (1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene is CO/C=C/C(C)=C\O/C=C(C)/C=C/OC.
What is the InChIKey of (1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene?
The InChIKey is BURPGMYTWNZHRH-DEHUIYDQSA-N. The full InChI is InChI=1S/C12H18O3/c1-11(5-7-13-3)9-15-10-12(2)6-8-14-4/h5-10H,1-4H3/b7-5+,8-6+,11-9-,12-10+.
What are the key properties of (1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene?
(1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene has a molecular weight of 210.27 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene is sourced from PubChem (CID 101010584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).