2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde

C14H20O5 — CID 59603127

IUPAC2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde
SMILESCCOC(COc1ccc(OC)cc1C=O)OCC
InChIInChI=1S/C14H20O5/c1-4-17-14(18-5-2)10-19-13-7-6-12(16-3)8-11(13)9-15/h6-9,14H,4-5,10H2,1-3H3
InChIKeyHHJXRVKHTPOEDS-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.29
Rot. Bonds9

About 2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde

2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde (PubChem CID 59603127) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde
PubChem CID59603127
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde
SMILESCCOC(COc1ccc(OC)cc1C=O)OCC
InChIInChI=1S/C14H20O5/c1-4-17-14(18-5-2)10-19-13-7-6-12(16-3)8-11(13)9-15/h6-9,14H,4-5,10H2,1-3H3
InChIKeyHHJXRVKHTPOEDS-UHFFFAOYSA-N
XLogP2.29
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde
CID 10849382
2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
CID 60922402
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
5-methoxy-2-undecoxybenzaldehyde
CID 15617492
2-(2-chloroethoxy)-5-methoxybenzaldehyde
CID 3828469
2-(2-hydroxy-2-methylpropoxy)-5-methoxybenzaldehyde
CID 60884654
2-(2,2-diethoxyethoxy)-3-methoxy-5-methylbenzaldehyde
CID 88848749
5-methoxy-2-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 103033823
1-(2-formyl-4-methoxyphenoxy)propan-2-yl benzenesulfonate
CID 141202863
deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene
CID 160741711
N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8633812
4-(2,2-diethoxyethoxy)-3-nitrobenzaldehyde
CID 114459531

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde?
The IUPAC name of 2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde (CID 59603127) is 2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde.
What is the SMILES notation for 2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde?
The canonical SMILES for 2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde is CCOC(COc1ccc(OC)cc1C=O)OCC.
What is the InChIKey of 2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde?
The InChIKey is HHJXRVKHTPOEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-4-17-14(18-5-2)10-19-13-7-6-12(16-3)8-11(13)9-15/h6-9,14H,4-5,10H2,1-3H3.
What are the key properties of 2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde?
2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde has a molecular weight of 268.31 g/mol, XLogP of 2.29, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde is sourced from PubChem (CID 59603127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).