1,5-diethyl-2,4-bis(prop-2-enoxy)benzene

C16H22O2 — CID 158976326

IUPAC1,5-diethyl-2,4-bis(prop-2-enoxy)benzene
SMILESC=CCOc1cc(OCC=C)c(CC)cc1CC
InChIInChI=1S/C16H22O2/c1-5-9-17-15-12-16(18-10-6-2)14(8-4)11-13(15)7-3/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyIWTPIRURQGEESN-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.94
Rot. Bonds8

About 1,5-diethyl-2,4-bis(prop-2-enoxy)benzene

1,5-diethyl-2,4-bis(prop-2-enoxy)benzene (PubChem CID 158976326) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1,5-diethyl-2,4-bis(prop-2-enoxy)benzene.

Molecular Properties

Compound Name1,5-diethyl-2,4-bis(prop-2-enoxy)benzene
PubChem CID158976326
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1,5-diethyl-2,4-bis(prop-2-enoxy)benzene
SMILESC=CCOc1cc(OCC=C)c(CC)cc1CC
InChIInChI=1S/C16H22O2/c1-5-9-17-15-12-16(18-10-6-2)14(8-4)11-13(15)7-3/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyIWTPIRURQGEESN-UHFFFAOYSA-N
XLogP3.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-3-prop-2-enoxyphenol
CID 18512145
[2,5-bis(hydroxymethyl)-4-prop-2-enoxyphenyl]methanol
CID 101326378
1-ethyl-3-[2-(2-prop-2-enoxyphenyl)ethyl]benzene
CID 142468495
4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene
CID 24770216
4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene
CID 145079777
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 24770219
N-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine
CID 81254967
2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 126123547
1-ethenyl-4-methyl-2-prop-2-enoxybenzene
CID 59606813
2-prop-2-enoxy-1,4-bis(prop-2-enyl)benzene
CID 66892127
1,2,4-trifluoro-5-prop-2-enoxybenzene
CID 130724512

Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-2,4-bis(prop-2-enoxy)benzene?
The IUPAC name of 1,5-diethyl-2,4-bis(prop-2-enoxy)benzene (CID 158976326) is 1,5-diethyl-2,4-bis(prop-2-enoxy)benzene.
What is the SMILES notation for 1,5-diethyl-2,4-bis(prop-2-enoxy)benzene?
The canonical SMILES for 1,5-diethyl-2,4-bis(prop-2-enoxy)benzene is C=CCOc1cc(OCC=C)c(CC)cc1CC.
What is the InChIKey of 1,5-diethyl-2,4-bis(prop-2-enoxy)benzene?
The InChIKey is IWTPIRURQGEESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-5-9-17-15-12-16(18-10-6-2)14(8-4)11-13(15)7-3/h5-6,11-12H,1-2,7-10H2,3-4H3.
What are the key properties of 1,5-diethyl-2,4-bis(prop-2-enoxy)benzene?
1,5-diethyl-2,4-bis(prop-2-enoxy)benzene has a molecular weight of 246.35 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-2,4-bis(prop-2-enoxy)benzene is sourced from PubChem (CID 158976326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).