2-(cyclohexylmethoxy)-4,6-bis(methoxymethoxy)-3-methylbenzaldehyde

C19H28O6 — CID 168899292

IUPAC2-(cyclohexylmethoxy)-4,6-bis(methoxymethoxy)-3-methylbenzaldehyde
SMILESCOCOc1cc(OCOC)c(C=O)c(OCC2CCCCC2)c1C
InChIInChI=1S/C19H28O6/c1-14-17(24-12-21-2)9-18(25-13-22-3)16(10-20)19(14)23-11-15-7-5-4-6-8-15/h9-10,15H,4-8,11-13H2,1-3H3
InChIKeyZKWGMSLUFJTLRF-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.73
Rot. Bonds10

About 2-(cyclohexylmethoxy)-4,6-bis(methoxymethoxy)-3-methylbenzaldehyde

2-(cyclohexylmethoxy)-4,6-bis(methoxymethoxy)-3-methylbenzaldehyde (PubChem CID 168899292) has the molecular formula C19H28O6 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-4,6-bis(methoxymethoxy)-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-4,6-bis(methoxymethoxy)-3-methylbenzaldehyde
PubChem CID168899292
Molecular FormulaC19H28O6
Molecular Weight352.43 g/mol
Exact Mass352.19
IUPAC Name2-(cyclohexylmethoxy)-4,6-bis(methoxymethoxy)-3-methylbenzaldehyde
SMILESCOCOc1cc(OCOC)c(C=O)c(OCC2CCCCC2)c1C
InChIInChI=1S/C19H28O6/c1-14-17(24-12-21-2)9-18(25-13-22-3)16(10-20)19(14)23-11-15-7-5-4-6-8-15/h9-10,15H,4-8,11-13H2,1-3H3
InChIKeyZKWGMSLUFJTLRF-UHFFFAOYSA-N
XLogP3.73
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-4,6-bis(methoxymethoxy)-3-methylbenzaldehyde?
The IUPAC name of 2-(cyclohexylmethoxy)-4,6-bis(methoxymethoxy)-3-methylbenzaldehyde (CID 168899292) is 2-(cyclohexylmethoxy)-4,6-bis(methoxymethoxy)-3-methylbenzaldehyde.
What is the SMILES notation for 2-(cyclohexylmethoxy)-4,6-bis(methoxymethoxy)-3-methylbenzaldehyde?
The canonical SMILES for 2-(cyclohexylmethoxy)-4,6-bis(methoxymethoxy)-3-methylbenzaldehyde is COCOc1cc(OCOC)c(C=O)c(OCC2CCCCC2)c1C.
What is the InChIKey of 2-(cyclohexylmethoxy)-4,6-bis(methoxymethoxy)-3-methylbenzaldehyde?
The InChIKey is ZKWGMSLUFJTLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O6/c1-14-17(24-12-21-2)9-18(25-13-22-3)16(10-20)19(14)23-11-15-7-5-4-6-8-15/h9-10,15H,4-8,11-13H2,1-3H3.
What are the key properties of 2-(cyclohexylmethoxy)-4,6-bis(methoxymethoxy)-3-methylbenzaldehyde?
2-(cyclohexylmethoxy)-4,6-bis(methoxymethoxy)-3-methylbenzaldehyde has a molecular weight of 352.43 g/mol, XLogP of 3.73, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-4,6-bis(methoxymethoxy)-3-methylbenzaldehyde is sourced from PubChem (CID 168899292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).