5-methyl-2-(2-methylpentoxy)benzaldehyde

C14H20O2 — CID 63324878

IUPAC5-methyl-2-(2-methylpentoxy)benzaldehyde
SMILESCCCC(C)COc1ccc(C)cc1C=O
InChIInChI=1S/C14H20O2/c1-4-5-12(3)10-16-14-7-6-11(2)8-13(14)9-15/h6-9,12H,4-5,10H2,1-3H3
InChIKeyYHKVAKMMEQVTPX-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.62
Rot. Bonds6

About 5-methyl-2-(2-methylpentoxy)benzaldehyde

5-methyl-2-(2-methylpentoxy)benzaldehyde (PubChem CID 63324878) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5-methyl-2-(2-methylpentoxy)benzaldehyde.

Molecular Properties

Compound Name5-methyl-2-(2-methylpentoxy)benzaldehyde
PubChem CID63324878
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name5-methyl-2-(2-methylpentoxy)benzaldehyde
SMILESCCCC(C)COc1ccc(C)cc1C=O
InChIInChI=1S/C14H20O2/c1-4-5-12(3)10-16-14-7-6-11(2)8-13(14)9-15/h6-9,12H,4-5,10H2,1-3H3
InChIKeyYHKVAKMMEQVTPX-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylpentoxy)benzaldehyde?
The IUPAC name of 5-methyl-2-(2-methylpentoxy)benzaldehyde (CID 63324878) is 5-methyl-2-(2-methylpentoxy)benzaldehyde.
What is the SMILES notation for 5-methyl-2-(2-methylpentoxy)benzaldehyde?
The canonical SMILES for 5-methyl-2-(2-methylpentoxy)benzaldehyde is CCCC(C)COc1ccc(C)cc1C=O.
What is the InChIKey of 5-methyl-2-(2-methylpentoxy)benzaldehyde?
The InChIKey is YHKVAKMMEQVTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-5-12(3)10-16-14-7-6-11(2)8-13(14)9-15/h6-9,12H,4-5,10H2,1-3H3.
What are the key properties of 5-methyl-2-(2-methylpentoxy)benzaldehyde?
5-methyl-2-(2-methylpentoxy)benzaldehyde has a molecular weight of 220.31 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylpentoxy)benzaldehyde is sourced from PubChem (CID 63324878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).