1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene

C28H46O6 — CID 158088780

IUPAC1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
SMILESCCCCOCCOCCOC=C(C)c1ccc(C(C)=COCCOCCOCCCC)cc1
InChIInChI=1S/C28H46O6/c1-5-7-13-29-15-17-31-19-21-33-23-25(3)27-9-11-28(12-10-27)26(4)24-34-22-20-32-18-16-30-14-8-6-2/h9-12,23-24H,5-8,13-22H2,1-4H3
InChIKeyIPBIREXAOAYXDA-UHFFFAOYSA-N
MW478.67 g/mol
LogP6.11
Rot. Bonds22

About 1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene

1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene (PubChem CID 158088780) has the molecular formula C28H46O6 and a molecular weight of 478.67 g/mol. Its IUPAC name is 1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
PubChem CID158088780
Molecular FormulaC28H46O6
Molecular Weight478.67 g/mol
Exact Mass478.33
IUPAC Name1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
SMILESCCCCOCCOCCOC=C(C)c1ccc(C(C)=COCCOCCOCCCC)cc1
InChIInChI=1S/C28H46O6/c1-5-7-13-29-15-17-31-19-21-33-23-25(3)27-9-11-28(12-10-27)26(4)24-34-22-20-32-18-16-30-14-8-6-2/h9-12,23-24H,5-8,13-22H2,1-4H3
InChIKeyIPBIREXAOAYXDA-UHFFFAOYSA-N
XLogP6.11
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.67
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[(E)-but-2-en-2-yl]-4-[(E)-1-butoxyprop-1-en-2-yl]benzene
CID 163241353
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)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene
CID 146277990
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
2-(2-butoxyethoxy)ethanol;1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene;2-phenylpropanal
CID 158022987
1-[(E)-4-(2-butoxyethoxy)but-2-en-2-yl]-4-[(E)-oct-2-en-2-yl]benzene
CID 163402477
1-[(E)-but-2-en-2-yl]-3-[(E)-1-(2-propoxyethoxy)prop-1-en-2-yl]benzene
CID 163402503
1,4-bis[1-(3-methoxypropoxy)prop-1-en-2-yl]benzene
CID 163241268
1-[(E)-but-2-en-2-yl]-3-[(E)-1-[2-(2-propoxyethoxy)ethoxy]prop-1-en-2-yl]benzene;ethane
CID 156647431
1-[3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]-4-prop-1-en-2-ylbenzene;ethane
CID 163241395
bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] benzene-1,4-dicarboperoxoate
CID 154255767
(2-butoxy-1-phenylethenyl)benzene
CID 57081718

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene?
The IUPAC name of 1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene (CID 158088780) is 1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene.
What is the SMILES notation for 1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene?
The canonical SMILES for 1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene is CCCCOCCOCCOC=C(C)c1ccc(C(C)=COCCOCCOCCCC)cc1.
What is the InChIKey of 1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene?
The InChIKey is IPBIREXAOAYXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46O6/c1-5-7-13-29-15-17-31-19-21-33-23-25(3)27-9-11-28(12-10-27)26(4)24-34-22-20-32-18-16-30-14-8-6-2/h9-12,23-24H,5-8,13-22H2,1-4H3.
What are the key properties of 1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene?
1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene has a molecular weight of 478.67 g/mol, XLogP of 6.11, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[1-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]benzene is sourced from PubChem (CID 158088780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).