2,4-bis(methoxymethoxy)-3-methylbenzaldehyde

C12H16O5 — CID 140672878

IUPAC2,4-bis(methoxymethoxy)-3-methylbenzaldehyde
SMILESCOCOc1ccc(C=O)c(OCOC)c1C
InChIInChI=1S/C12H16O5/c1-9-11(16-7-14-2)5-4-10(6-13)12(9)17-8-15-3/h4-6H,7-8H2,1-3H3
InChIKeyQWIYIGWGKFJECS-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.77
Rot. Bonds7

About 2,4-bis(methoxymethoxy)-3-methylbenzaldehyde

2,4-bis(methoxymethoxy)-3-methylbenzaldehyde (PubChem CID 140672878) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2,4-bis(methoxymethoxy)-3-methylbenzaldehyde.

Molecular Properties

Compound Name2,4-bis(methoxymethoxy)-3-methylbenzaldehyde
PubChem CID140672878
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name2,4-bis(methoxymethoxy)-3-methylbenzaldehyde
SMILESCOCOc1ccc(C=O)c(OCOC)c1C
InChIInChI=1S/C12H16O5/c1-9-11(16-7-14-2)5-4-10(6-13)12(9)17-8-15-3/h4-6H,7-8H2,1-3H3
InChIKeyQWIYIGWGKFJECS-UHFFFAOYSA-N
XLogP1.77
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.77
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

3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde
CID 164895663
6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde
CID 102346348
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
3,4-bis(methoxymethoxy)-2-(3-methylbut-2-enyl)benzaldehyde
CID 11098397
2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene
CID 158698772
2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde
CID 86226921
3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde
CID 164894284
4-(8-formyl-5-methoxynaphthalen-1-yl)oxy-8-(methoxymethoxy)naphthalene-1-carbaldehyde
CID 11339020
4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde
CID 11736457
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
2-bromo-3-(methoxymethoxy)benzaldehyde
CID 59515258
3-(methoxymethoxy)pyridine-4-carbaldehyde
CID 45091058

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(methoxymethoxy)-3-methylbenzaldehyde?
The IUPAC name of 2,4-bis(methoxymethoxy)-3-methylbenzaldehyde (CID 140672878) is 2,4-bis(methoxymethoxy)-3-methylbenzaldehyde.
What is the SMILES notation for 2,4-bis(methoxymethoxy)-3-methylbenzaldehyde?
The canonical SMILES for 2,4-bis(methoxymethoxy)-3-methylbenzaldehyde is COCOc1ccc(C=O)c(OCOC)c1C.
What is the InChIKey of 2,4-bis(methoxymethoxy)-3-methylbenzaldehyde?
The InChIKey is QWIYIGWGKFJECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-9-11(16-7-14-2)5-4-10(6-13)12(9)17-8-15-3/h4-6H,7-8H2,1-3H3.
What are the key properties of 2,4-bis(methoxymethoxy)-3-methylbenzaldehyde?
2,4-bis(methoxymethoxy)-3-methylbenzaldehyde has a molecular weight of 240.25 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(methoxymethoxy)-3-methylbenzaldehyde is sourced from PubChem (CID 140672878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).