anisole;benzaldehyde;ethane;methoxymethane;3-methoxyprop-1-ene

C24H40O4 — CID 157294225

IUPACanisole;benzaldehyde;ethane;methoxymethane;3-methoxyprop-1-ene
SMILESC=CCOC.CC.CC.COC.COc1ccccc1.O=Cc1ccccc1
InChIInChI=1S/C7H8O.C7H6O.C4H8O.C2H6O.2C2H6/c1-8-7-5-3-2-4-6-7;8-6-7-4-2-1-3-5-7;1-3-4-5-2;1-3-2;2*1-2/h2-6H,1H3;1-6H;3H,1,4H2,2H3;1-2H3;2*1-2H3
InChIKeyBBDQOZSYMRZOAO-UHFFFAOYSA-N
MW392.58 g/mol
LogP6.33
Rot. Bonds4

About anisole;benzaldehyde;ethane;methoxymethane;3-methoxyprop-1-ene

anisole;benzaldehyde;ethane;methoxymethane;3-methoxyprop-1-ene (PubChem CID 157294225) has the molecular formula C24H40O4 and a molecular weight of 392.58 g/mol. Its IUPAC name is anisole;benzaldehyde;ethane;methoxymethane;3-methoxyprop-1-ene.

Molecular Properties

Compound Nameanisole;benzaldehyde;ethane;methoxymethane;3-methoxyprop-1-ene
PubChem CID157294225
Molecular FormulaC24H40O4
Molecular Weight392.58 g/mol
Exact Mass392.29
IUPAC Nameanisole;benzaldehyde;ethane;methoxymethane;3-methoxyprop-1-ene
SMILESC=CCOC.CC.CC.COC.COc1ccccc1.O=Cc1ccccc1
InChIInChI=1S/C7H8O.C7H6O.C4H8O.C2H6O.2C2H6/c1-8-7-5-3-2-4-6-7;8-6-7-4-2-1-3-5-7;1-3-4-5-2;1-3-2;2*1-2/h2-6H,1H3;1-6H;3H,1,4H2,2H3;1-2H3;2*1-2H3
InChIKeyBBDQOZSYMRZOAO-UHFFFAOYSA-N
XLogP6.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of anisole;benzaldehyde;ethane;methoxymethane;3-methoxyprop-1-ene?
The IUPAC name of anisole;benzaldehyde;ethane;methoxymethane;3-methoxyprop-1-ene (CID 157294225) is anisole;benzaldehyde;ethane;methoxymethane;3-methoxyprop-1-ene.
What is the SMILES notation for anisole;benzaldehyde;ethane;methoxymethane;3-methoxyprop-1-ene?
The canonical SMILES for anisole;benzaldehyde;ethane;methoxymethane;3-methoxyprop-1-ene is C=CCOC.CC.CC.COC.COc1ccccc1.O=Cc1ccccc1.
What is the InChIKey of anisole;benzaldehyde;ethane;methoxymethane;3-methoxyprop-1-ene?
The InChIKey is BBDQOZSYMRZOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C7H6O.C4H8O.C2H6O.2C2H6/c1-8-7-5-3-2-4-6-7;8-6-7-4-2-1-3-5-7;1-3-4-5-2;1-3-2;2*1-2/h2-6H,1H3;1-6H;3H,1,4H2,2H3;1-2H3;2*1-2H3.
What are the key properties of anisole;benzaldehyde;ethane;methoxymethane;3-methoxyprop-1-ene?
anisole;benzaldehyde;ethane;methoxymethane;3-methoxyprop-1-ene has a molecular weight of 392.58 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;benzaldehyde;ethane;methoxymethane;3-methoxyprop-1-ene is sourced from PubChem (CID 157294225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).