1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene

C17H24O3 — CID 141200812

IUPAC1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene
SMILESC=CCOc1c(CCC)ccc(OCC)c1OCC=C
InChIInChI=1S/C17H24O3/c1-5-9-14-10-11-15(18-8-4)17(20-13-7-3)16(14)19-12-6-2/h6-7,10-11H,2-3,5,8-9,12-13H2,1,4H3
InChIKeyCUILYAZBJGKIDW-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.17
Rot. Bonds10

About 1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene

1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene (PubChem CID 141200812) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene.

Molecular Properties

Compound Name1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene
PubChem CID141200812
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene
SMILESC=CCOc1c(CCC)ccc(OCC)c1OCC=C
InChIInChI=1S/C17H24O3/c1-5-9-14-10-11-15(18-8-4)17(20-13-7-3)16(14)19-12-6-2/h6-7,10-11H,2-3,5,8-9,12-13H2,1,4H3
InChIKeyCUILYAZBJGKIDW-UHFFFAOYSA-N
XLogP4.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,3-diethoxy-4-propylphenyl) prop-2-enoate;2-methylprop-2-enoic acid
CID 18935688
1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one
CID 141071833
2-ethoxy-1,3-dipropylbenzene
CID 14665558
[(2S)-butan-2-yl]-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]azanium
CID 7993578
(2,3,4-triethoxy-5-propylphenyl) prop-2-enoate
CID 150531002
4-prop-2-enoxy-3,5-dipropylbenzoyl chloride
CID 125469452
(2-prop-2-enoxy-3,5-dipropylphenyl)methylazanium chloride
CID 23595
8-methyl-7-prop-2-enoxy-4-propylchromen-2-one
CID 23459774
4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 24770219
2-ethoxy-4-ethyl-1-propylbenzene
CID 14665571
(2,3-dibutoxy-4-propylphenyl) 2-methylprop-2-enoate
CID 70638662
1-methyl-4-[2-(2,3,4-triethoxyphenyl)ethyl]triazole
CID 112718810

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene?
The IUPAC name of 1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene (CID 141200812) is 1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene.
What is the SMILES notation for 1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene?
The canonical SMILES for 1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene is C=CCOc1c(CCC)ccc(OCC)c1OCC=C.
What is the InChIKey of 1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene?
The InChIKey is CUILYAZBJGKIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-5-9-14-10-11-15(18-8-4)17(20-13-7-3)16(14)19-12-6-2/h6-7,10-11H,2-3,5,8-9,12-13H2,1,4H3.
What are the key properties of 1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene?
1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene has a molecular weight of 276.38 g/mol, XLogP of 4.17, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene is sourced from PubChem (CID 141200812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).