4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene

C14H18O2 — CID 24770219

IUPAC4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
SMILESC=CCOc1ccc(OCC)cc1CC=C
InChIInChI=1S/C14H18O2/c1-4-7-12-11-13(15-6-3)8-9-14(12)16-10-5-2/h4-5,8-9,11H,1-2,6-7,10H2,3H3
InChIKeyZTPJZMVFCKMMTC-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.38
Rot. Bonds7

About 4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene

4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene (PubChem CID 24770219) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene.

Molecular Properties

Compound Name4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
PubChem CID24770219
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
SMILESC=CCOc1ccc(OCC)cc1CC=C
InChIInChI=1S/C14H18O2/c1-4-7-12-11-13(15-6-3)8-9-14(12)16-10-5-2/h4-5,8-9,11H,1-2,6-7,10H2,3H3
InChIKeyZTPJZMVFCKMMTC-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.38
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

1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
3-(4-ethoxy-2-prop-2-enylphenoxy)propan-1-amine
CID 62598605
(2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid
CID 30045988
4-ethoxy-2-methoxy-1-prop-2-enylbenzene
CID 24770498
4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 22261130
4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene
CID 24770216
2-(4-ethoxy-2-prop-2-enylphenoxy)-2-fluoroacetic acid
CID 79356851
N-[2-(4-ethoxy-2-prop-2-enylphenoxy)propyl]-2-methylpropan-1-amine
CID 63515567
4-(4-ethoxy-2-prop-2-enylphenoxy)pentan-2-one
CID 64697737
4-chloro-1-ethoxy-2-prop-2-enylbenzene
CID 91657308
2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one
CID 79577646
4-prop-2-enoxy-2-prop-2-enylphenol
CID 45091477

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene?
The IUPAC name of 4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene (CID 24770219) is 4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene.
What is the SMILES notation for 4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene?
The canonical SMILES for 4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene is C=CCOc1ccc(OCC)cc1CC=C.
What is the InChIKey of 4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene?
The InChIKey is ZTPJZMVFCKMMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-7-12-11-13(15-6-3)8-9-14(12)16-10-5-2/h4-5,8-9,11H,1-2,6-7,10H2,3H3.
What are the key properties of 4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene?
4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene has a molecular weight of 218.30 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene is sourced from PubChem (CID 24770219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).