4-(2,2,3-trimethylbutoxy)benzaldehyde

C14H20O2 — CID 166913587

IUPAC4-(2,2,3-trimethylbutoxy)benzaldehyde
SMILESCC(C)C(C)(C)COc1ccc(C=O)cc1
InChIInChI=1S/C14H20O2/c1-11(2)14(3,4)10-16-13-7-5-12(9-15)6-8-13/h5-9,11H,10H2,1-4H3
InChIKeyRQFNKDZAXFBOBM-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.56
Rot. Bonds5

About 4-(2,2,3-trimethylbutoxy)benzaldehyde

4-(2,2,3-trimethylbutoxy)benzaldehyde (PubChem CID 166913587) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-(2,2,3-trimethylbutoxy)benzaldehyde.

Molecular Properties

Compound Name4-(2,2,3-trimethylbutoxy)benzaldehyde
PubChem CID166913587
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-(2,2,3-trimethylbutoxy)benzaldehyde
SMILESCC(C)C(C)(C)COc1ccc(C=O)cc1
InChIInChI=1S/C14H20O2/c1-11(2)14(3,4)10-16-13-7-5-12(9-15)6-8-13/h5-9,11H,10H2,1-4H3
InChIKeyRQFNKDZAXFBOBM-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
4-[2,2,3,3,4,4-hexafluoro-5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 19038420
4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde
CID 92914884
tert-butyl 2-(4-formylphenoxy)acetate
CID 639902
[5-(4-formylphenoxy)-2-methylpentan-2-yl] carbamate
CID 175140614
4-[3-[4-[2-[4-[3-(4-formylphenoxy)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropoxy]benzaldehyde
CID 100967393
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
(4-formylphenoxy)methyl-trimethylazanium
CID 102084836
propan-2-yl 2-(4-formylphenoxy)acetate
CID 23274286
4-(4-ethoxy-N-methylanilino)benzaldehyde
CID 12657169
tert-butyl N-[3-(4-formylphenoxy)propyl]-N-methylcarbamate
CID 157022008

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3-trimethylbutoxy)benzaldehyde?
The IUPAC name of 4-(2,2,3-trimethylbutoxy)benzaldehyde (CID 166913587) is 4-(2,2,3-trimethylbutoxy)benzaldehyde.
What is the SMILES notation for 4-(2,2,3-trimethylbutoxy)benzaldehyde?
The canonical SMILES for 4-(2,2,3-trimethylbutoxy)benzaldehyde is CC(C)C(C)(C)COc1ccc(C=O)cc1.
What is the InChIKey of 4-(2,2,3-trimethylbutoxy)benzaldehyde?
The InChIKey is RQFNKDZAXFBOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(2)14(3,4)10-16-13-7-5-12(9-15)6-8-13/h5-9,11H,10H2,1-4H3.
What are the key properties of 4-(2,2,3-trimethylbutoxy)benzaldehyde?
4-(2,2,3-trimethylbutoxy)benzaldehyde has a molecular weight of 220.31 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3-trimethylbutoxy)benzaldehyde is sourced from PubChem (CID 166913587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).