5-prop-2-enoxybenzene-1,3-dicarbaldehyde

C11H10O3 — CID 10750177

IUPAC5-prop-2-enoxybenzene-1,3-dicarbaldehyde
SMILESC=CCOc1cc(C=O)cc(C=O)c1
InChIInChI=1S/C11H10O3/c1-2-3-14-11-5-9(7-12)4-10(6-11)8-13/h2,4-8H,1,3H2
InChIKeyBTFGJTUALBWAMQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.88
Rot. Bonds5

About 5-prop-2-enoxybenzene-1,3-dicarbaldehyde

5-prop-2-enoxybenzene-1,3-dicarbaldehyde (PubChem CID 10750177) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-prop-2-enoxybenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name5-prop-2-enoxybenzene-1,3-dicarbaldehyde
PubChem CID10750177
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name5-prop-2-enoxybenzene-1,3-dicarbaldehyde
SMILESC=CCOc1cc(C=O)cc(C=O)c1
InChIInChI=1S/C11H10O3/c1-2-3-14-11-5-9(7-12)4-10(6-11)8-13/h2,4-8H,1,3H2
InChIKeyBTFGJTUALBWAMQ-UHFFFAOYSA-N
XLogP1.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methyl-5-prop-2-enoxyphenoxy)benzaldehyde
CID 18512274
3,5-dimethyl-4-prop-2-enoxybenzaldehyde
CID 28932608
3,5-bis(2-aminoethoxy)benzaldehyde
CID 89220527
3-fluoro-5-hept-6-enoxybenzaldehyde
CID 107007342
4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde
CID 11403025
2-[3-(carboxymethoxy)-5-formylphenoxy]acetic acid
CID 57316447
3,5-bis(prop-2-enoxy)benzoic acid
CID 3313564
3-ethenyl-4-prop-2-enoxybenzaldehyde
CID 134858679
4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol
CID 174686350
5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde
CID 80631853
2-fluoro-5-prop-2-enoxybenzaldehyde
CID 155393023
3,5-bis(4-bromobutoxy)benzaldehyde
CID 121004759

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enoxybenzene-1,3-dicarbaldehyde?
The IUPAC name of 5-prop-2-enoxybenzene-1,3-dicarbaldehyde (CID 10750177) is 5-prop-2-enoxybenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 5-prop-2-enoxybenzene-1,3-dicarbaldehyde?
The canonical SMILES for 5-prop-2-enoxybenzene-1,3-dicarbaldehyde is C=CCOc1cc(C=O)cc(C=O)c1.
What is the InChIKey of 5-prop-2-enoxybenzene-1,3-dicarbaldehyde?
The InChIKey is BTFGJTUALBWAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-2-3-14-11-5-9(7-12)4-10(6-11)8-13/h2,4-8H,1,3H2.
What are the key properties of 5-prop-2-enoxybenzene-1,3-dicarbaldehyde?
5-prop-2-enoxybenzene-1,3-dicarbaldehyde has a molecular weight of 190.20 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enoxybenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 10750177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).