1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene

C23H36O4 — CID 163241352

IUPAC1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene
SMILESCCCCO/C=C(\C)c1cccc(/C(C)=C/OCCOCCOC(C)C)c1
InChIInChI=1S/C23H36O4/c1-6-7-11-25-17-20(4)22-9-8-10-23(16-22)21(5)18-26-13-12-24-14-15-27-19(2)3/h8-10,16-19H,6-7,11-15H2,1-5H3/b20-17+,21-18+
InChIKeyCMJRTODYVBCLET-PHEFWILJSA-N
MW376.54 g/mol
LogP5.68
Rot. Bonds14

About 1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene

1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene (PubChem CID 163241352) has the molecular formula C23H36O4 and a molecular weight of 376.54 g/mol. Its IUPAC name is 1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene
PubChem CID163241352
Molecular FormulaC23H36O4
Molecular Weight376.54 g/mol
Exact Mass376.26
IUPAC Name1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene
SMILESCCCCO/C=C(\C)c1cccc(/C(C)=C/OCCOCCOC(C)C)c1
InChIInChI=1S/C23H36O4/c1-6-7-11-25-17-20(4)22-9-8-10-23(16-22)21(5)18-26-13-12-24-14-15-27-19(2)3/h8-10,16-19H,6-7,11-15H2,1-5H3/b20-17+,21-18+
InChIKeyCMJRTODYVBCLET-PHEFWILJSA-N
XLogP5.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene;1,3-bis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]prop-1-en-2-yl]benzene;1,3-bis[1-[2-(2-propoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 160906982
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
1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 158088780
1-[1-(4-methoxybutoxy)prop-1-en-2-yl]-3-(1-propoxyprop-1-en-2-yl)benzene
CID 163402470
2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal
CID 158022987
1-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene
CID 163241353
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467
bicyclo[3.1.0]hexa-1(6),2,4-triene;1-propan-2-yloxybutane
CID 175092585
(2-butoxy-1-phenylethenyl)benzene
CID 57081718
1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-methylpropoxy)prop-1-en-2-yl]benzene;methanethiol
CID 163241299
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-3-[1-(1-pentan-2-yloxypropan-2-yloxy)prop-1-en-2-yl]benzene
CID 157293565

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene?
The IUPAC name of 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) is 1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene.
What is the SMILES notation for 1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene?
The canonical SMILES for 1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene is CCCCO/C=C(\C)c1cccc(/C(C)=C/OCCOCCOC(C)C)c1.
What is the InChIKey of 1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene?
The InChIKey is CMJRTODYVBCLET-PHEFWILJSA-N. The full InChI is InChI=1S/C23H36O4/c1-6-7-11-25-17-20(4)22-9-8-10-23(16-22)21(5)18-26-13-12-24-14-15-27-19(2)3/h8-10,16-19H,6-7,11-15H2,1-5H3/b20-17+,21-18+.
What are the key properties of 1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene?
1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene has a molecular weight of 376.54 g/mol, XLogP of 5.68, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-butoxyprop-1-en-2-yl]-3-[(E)-1-[2-(2-propan-2-yloxyethoxy)ethoxy]prop-1-en-2-yl]benzene is sourced from PubChem (CID 163241352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).