1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene

C18H26O3 — CID 156647396

IUPAC1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
SMILESC/C=C(\C)c1ccc(/C(C)=C/OCCOCCOC)cc1
InChIInChI=1S/C18H26O3/c1-5-15(2)17-6-8-18(9-7-17)16(3)14-21-13-12-20-11-10-19-4/h5-9,14H,10-13H2,1-4H3/b15-5+,16-14+
InChIKeyHJYYVLRHXPPOLK-SKJHUXOFSA-N
MW290.40 g/mol
LogP4.15
Rot. Bonds9

About 1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene

1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene (PubChem CID 156647396) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
PubChem CID156647396
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
SMILESC/C=C(\C)c1ccc(/C(C)=C/OCCOCCOC)cc1
InChIInChI=1S/C18H26O3/c1-5-15(2)17-6-8-18(9-7-17)16(3)14-21-13-12-20-11-10-19-4/h5-9,14H,10-13H2,1-4H3/b15-5+,16-14+
InChIKeyHJYYVLRHXPPOLK-SKJHUXOFSA-N
XLogP4.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene
CID 163241268
1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 158088780
1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene
CID 163241353
1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene
CID 163402503
1-[(E)-but-2-en-2-yl]-3-[(E)-1-[2-(2-propoxyethoxy)ethoxy]prop-1-en-2-yl]benzene;ethane
CID 156647431
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylprop-2-enoic acid
CID 173082103
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid
CID 56998613
1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene
CID 155674731
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 163241352
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene (CID 156647396) is 1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene is C/C=C(\C)c1ccc(/C(C)=C/OCCOCCOC)cc1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene?
The InChIKey is HJYYVLRHXPPOLK-SKJHUXOFSA-N. The full InChI is InChI=1S/C18H26O3/c1-5-15(2)17-6-8-18(9-7-17)16(3)14-21-13-12-20-11-10-19-4/h5-9,14H,10-13H2,1-4H3/b15-5+,16-14+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene?
1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene has a molecular weight of 290.40 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene is sourced from PubChem (CID 156647396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).