1,1-diethoxyethane;2-(4-methoxyphenyl)acetaldehyde

C15H24O4 — CID 87373658

IUPAC1,1-diethoxyethane;2-(4-methoxyphenyl)acetaldehyde
SMILESCCOC(C)OCC.COc1ccc(CC=O)cc1
InChIInChI=1S/C9H10O2.C6H14O2/c1-11-9-4-2-8(3-5-9)6-7-10;1-4-7-6(3)8-5-2/h2-5,7H,6H2,1H3;6H,4-5H2,1-3H3
InChIKeyMOJOCQBDRUFMKG-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.84
Rot. Bonds7

About 1,1-diethoxyethane;2-(4-methoxyphenyl)acetaldehyde

1,1-diethoxyethane;2-(4-methoxyphenyl)acetaldehyde (PubChem CID 87373658) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1,1-diethoxyethane;2-(4-methoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name1,1-diethoxyethane;2-(4-methoxyphenyl)acetaldehyde
PubChem CID87373658
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name1,1-diethoxyethane;2-(4-methoxyphenyl)acetaldehyde
SMILESCCOC(C)OCC.COc1ccc(CC=O)cc1
InChIInChI=1S/C9H10O2.C6H14O2/c1-11-9-4-2-8(3-5-9)6-7-10;1-4-7-6(3)8-5-2/h2-5,7H,6H2,1H3;6H,4-5H2,1-3H3
InChIKeyMOJOCQBDRUFMKG-UHFFFAOYSA-N
XLogP2.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxyethane;2-phenylacetaldehyde;propane-1,2,3-triol
CID 87067731
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
4-(4-methoxyphenyl)-3-methylbutanal
CID 19846631
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009
butane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene
CID 142022793
1-(2,3-diethoxy-3-methoxypropyl)-4-methoxybenzene
CID 19891142
ethyl (E,4R,5R)-5-[(4-methoxyphenyl)methoxy]-4-methyl-8-oxooct-2-enoate
CID 87287062
2-ethoxy-3-(4-methoxyphenyl)propanoic acid
CID 11183680
2-[(3-bromo-4-methoxyphenyl)methylamino]acetaldehyde;1,1-diethoxyethane
CID 88595596
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
(2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 95291104
(2S,3S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 11118487

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethane;2-(4-methoxyphenyl)acetaldehyde?
The IUPAC name of 1,1-diethoxyethane;2-(4-methoxyphenyl)acetaldehyde (CID 87373658) is 1,1-diethoxyethane;2-(4-methoxyphenyl)acetaldehyde.
What is the SMILES notation for 1,1-diethoxyethane;2-(4-methoxyphenyl)acetaldehyde?
The canonical SMILES for 1,1-diethoxyethane;2-(4-methoxyphenyl)acetaldehyde is CCOC(C)OCC.COc1ccc(CC=O)cc1.
What is the InChIKey of 1,1-diethoxyethane;2-(4-methoxyphenyl)acetaldehyde?
The InChIKey is MOJOCQBDRUFMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C6H14O2/c1-11-9-4-2-8(3-5-9)6-7-10;1-4-7-6(3)8-5-2/h2-5,7H,6H2,1H3;6H,4-5H2,1-3H3.
What are the key properties of 1,1-diethoxyethane;2-(4-methoxyphenyl)acetaldehyde?
1,1-diethoxyethane;2-(4-methoxyphenyl)acetaldehyde has a molecular weight of 268.35 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethane;2-(4-methoxyphenyl)acetaldehyde is sourced from PubChem (CID 87373658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).