1-[(E)-4,4-diethoxy-3-methylbut-2-enoxy]-3-methoxybenzene

C16H24O4 — CID 70549049

IUPAC1-[(E)-4,4-diethoxy-3-methylbut-2-enoxy]-3-methoxybenzene
SMILESCCOC(OCC)/C(C)=C/COc1cccc(OC)c1
InChIInChI=1S/C16H24O4/c1-5-18-16(19-6-2)13(3)10-11-20-15-9-7-8-14(12-15)17-4/h7-10,12,16H,5-6,11H2,1-4H3/b13-10+
InChIKeyUXEQYPFCNFGIMO-JLHYYAGUSA-N
MW280.36 g/mol
LogP3.42
Rot. Bonds9

About 1-[(E)-4,4-diethoxy-3-methylbut-2-enoxy]-3-methoxybenzene

1-[(E)-4,4-diethoxy-3-methylbut-2-enoxy]-3-methoxybenzene (PubChem CID 70549049) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-[(E)-4,4-diethoxy-3-methylbut-2-enoxy]-3-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-4,4-diethoxy-3-methylbut-2-enoxy]-3-methoxybenzene
PubChem CID70549049
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name1-[(E)-4,4-diethoxy-3-methylbut-2-enoxy]-3-methoxybenzene
SMILESCCOC(OCC)/C(C)=C/COc1cccc(OC)c1
InChIInChI=1S/C16H24O4/c1-5-18-16(19-6-2)13(3)10-11-20-15-9-7-8-14(12-15)17-4/h7-10,12,16H,5-6,11H2,1-4H3/b13-10+
InChIKeyUXEQYPFCNFGIMO-JLHYYAGUSA-N
XLogP3.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(3-methoxyphenoxy)-2-methylbut-2-enoyl chloride
CID 125476170
2-(3-methoxyphenoxy)acetaldehyde
CID 15692237
(E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride
CID 66983045
1-[(2E)-7,7-dichloro-3-methylhepta-2,6-dienoxy]-3-methoxybenzene
CID 21489597
(3-methoxyphenoxy)methanol
CID 10442564
1-(chloromethoxy)-3-methoxybenzene
CID 59086252
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
1,1-diethoxy-4-(3-methoxyphenyl)butan-2-ol
CID 101485664
1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine
CID 27241782
1-chloro-3-(3-methylbut-2-enoxy)benzene
CID 60644549

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4,4-diethoxy-3-methylbut-2-enoxy]-3-methoxybenzene?
The IUPAC name of 1-[(E)-4,4-diethoxy-3-methylbut-2-enoxy]-3-methoxybenzene (CID 70549049) is 1-[(E)-4,4-diethoxy-3-methylbut-2-enoxy]-3-methoxybenzene.
What is the SMILES notation for 1-[(E)-4,4-diethoxy-3-methylbut-2-enoxy]-3-methoxybenzene?
The canonical SMILES for 1-[(E)-4,4-diethoxy-3-methylbut-2-enoxy]-3-methoxybenzene is CCOC(OCC)/C(C)=C/COc1cccc(OC)c1.
What is the InChIKey of 1-[(E)-4,4-diethoxy-3-methylbut-2-enoxy]-3-methoxybenzene?
The InChIKey is UXEQYPFCNFGIMO-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H24O4/c1-5-18-16(19-6-2)13(3)10-11-20-15-9-7-8-14(12-15)17-4/h7-10,12,16H,5-6,11H2,1-4H3/b13-10+.
What are the key properties of 1-[(E)-4,4-diethoxy-3-methylbut-2-enoxy]-3-methoxybenzene?
1-[(E)-4,4-diethoxy-3-methylbut-2-enoxy]-3-methoxybenzene has a molecular weight of 280.36 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4,4-diethoxy-3-methylbut-2-enoxy]-3-methoxybenzene is sourced from PubChem (CID 70549049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).