1,4-diethoxy-2-prop-2-enylbenzene

C13H18O2 — CID 24770734

IUPAC1,4-diethoxy-2-prop-2-enylbenzene
SMILESC=CCc1cc(OCC)ccc1OCC
InChIInChI=1S/C13H18O2/c1-4-7-11-10-12(14-5-2)8-9-13(11)15-6-3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyQLVJLWGAUVNVPG-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.21
Rot. Bonds6

About 1,4-diethoxy-2-prop-2-enylbenzene

1,4-diethoxy-2-prop-2-enylbenzene (PubChem CID 24770734) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1,4-diethoxy-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1,4-diethoxy-2-prop-2-enylbenzene
PubChem CID24770734
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1,4-diethoxy-2-prop-2-enylbenzene
SMILESC=CCc1cc(OCC)ccc1OCC
InChIInChI=1S/C13H18O2/c1-4-7-11-10-12(14-5-2)8-9-13(11)15-6-3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyQLVJLWGAUVNVPG-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.21
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-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 24770219
3-(4-ethoxy-2-prop-2-enylphenoxy)propan-1-amine
CID 62598605
4-ethoxy-2-methoxy-1-prop-2-enylbenzene
CID 24770498
4-chloro-1-ethoxy-2-prop-2-enylbenzene
CID 91657308
(2R)-2-(4-ethoxy-2-prop-2-enylphenoxy)propanoic acid
CID 30045988
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
2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one
CID 79577646
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene
CID 22295057
4-ethoxy-2-nitro-1-prop-2-enylbenzene
CID 155580614

Frequently Asked Questions

What is the IUPAC name of 1,4-diethoxy-2-prop-2-enylbenzene?
The IUPAC name of 1,4-diethoxy-2-prop-2-enylbenzene (CID 24770734) is 1,4-diethoxy-2-prop-2-enylbenzene.
What is the SMILES notation for 1,4-diethoxy-2-prop-2-enylbenzene?
The canonical SMILES for 1,4-diethoxy-2-prop-2-enylbenzene is C=CCc1cc(OCC)ccc1OCC.
What is the InChIKey of 1,4-diethoxy-2-prop-2-enylbenzene?
The InChIKey is QLVJLWGAUVNVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-7-11-10-12(14-5-2)8-9-13(11)15-6-3/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of 1,4-diethoxy-2-prop-2-enylbenzene?
1,4-diethoxy-2-prop-2-enylbenzene has a molecular weight of 206.28 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethoxy-2-prop-2-enylbenzene is sourced from PubChem (CID 24770734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).