1-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-yl]-3-prop-1-en-2-ylbenzene

C18H26O3 — CID 156647387

IUPAC1-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-yl]-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cccc(C(=C)COCCOCCOCC)c1
InChIInChI=1S/C18H26O3/c1-5-19-9-10-20-11-12-21-14-16(4)18-8-6-7-17(13-18)15(2)3/h6-8,13H,2,4-5,9-12,14H2,1,3H3
InChIKeyUNCMKEHZLOCHIH-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.80
Rot. Bonds11

About 1-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-yl]-3-prop-1-en-2-ylbenzene

1-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-yl]-3-prop-1-en-2-ylbenzene (PubChem CID 156647387) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-yl]-3-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-yl]-3-prop-1-en-2-ylbenzene
PubChem CID156647387
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name1-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-yl]-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cccc(C(=C)COCCOCCOCC)c1
InChIInChI=1S/C18H26O3/c1-5-19-9-10-20-11-12-21-14-16(4)18-8-6-7-17(13-18)15(2)3/h6-8,13H,2,4-5,9-12,14H2,1,3H3
InChIKeyUNCMKEHZLOCHIH-UHFFFAOYSA-N
XLogP3.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxybutoxy)-3-prop-1-en-2-ylbenzene
CID 139799952
1-[3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]-4-prop-1-en-2-ylbenzene;ethane
CID 163241395
3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene
CID 175197492
1,3-bis(but-1-en-2-yl)benzene
CID 19692093
3-pentoxyprop-1-en-2-ylbenzene
CID 174460660
1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene
CID 58759055
1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane
CID 175999840
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
ethyl 2-(3-prop-1-en-2-ylphenyl)propanoate
CID 68528619
1-[(E)-but-2-en-2-yl]-3-[(E)-1-[2-(2-propoxyethoxy)ethoxy]prop-1-en-2-yl]benzene;ethane
CID 156647431
ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
CID 142829669
lithium;1,3-bis(prop-1-en-2-yl)benzene;butane
CID 158400502

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-yl]-3-prop-1-en-2-ylbenzene?
The IUPAC name of 1-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-yl]-3-prop-1-en-2-ylbenzene (CID 156647387) is 1-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-yl]-3-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-yl]-3-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-yl]-3-prop-1-en-2-ylbenzene is C=C(C)c1cccc(C(=C)COCCOCCOCC)c1.
What is the InChIKey of 1-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-yl]-3-prop-1-en-2-ylbenzene?
The InChIKey is UNCMKEHZLOCHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-5-19-9-10-20-11-12-21-14-16(4)18-8-6-7-17(13-18)15(2)3/h6-8,13H,2,4-5,9-12,14H2,1,3H3.
What are the key properties of 1-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-yl]-3-prop-1-en-2-ylbenzene?
1-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-yl]-3-prop-1-en-2-ylbenzene has a molecular weight of 290.40 g/mol, XLogP of 3.80, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-yl]-3-prop-1-en-2-ylbenzene is sourced from PubChem (CID 156647387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).