5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde

C13H16O2 — CID 63325352

IUPAC5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde
SMILESCC(C)=CCOc1ccc(C)cc1C=O
InChIInChI=1S/C13H16O2/c1-10(2)6-7-15-13-5-4-11(3)8-12(13)9-14/h4-6,8-9H,7H2,1-3H3
InChIKeyOQGBTVXDAGROLW-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.15
Rot. Bonds4

About 5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde

5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde (PubChem CID 63325352) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde.

Molecular Properties

Compound Name5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde
PubChem CID63325352
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde
SMILESCC(C)=CCOc1ccc(C)cc1C=O
InChIInChI=1S/C13H16O2/c1-10(2)6-7-15-13-5-4-11(3)8-12(13)9-14/h4-6,8-9H,7H2,1-3H3
InChIKeyOQGBTVXDAGROLW-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde
CID 91619201
3-[5-methyl-2-(3-methylbut-2-enoxy)phenyl]prop-2-enoic acid
CID 77011485
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde
CID 15536551
2-(3-chloroprop-2-enoxy)-5-methylbenzaldehyde
CID 77011402
[5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 63322907
2-[5-methyl-2-(3-methylbut-2-enoxy)phenyl]ethanamine
CID 63325800
5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde
CID 77011403
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
5-methyl-2-(2-phenoxyethoxy)benzaldehyde
CID 54794871
methyl 4-(2-formyl-4-methylphenoxy)butanoate
CID 63324744
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde?
The IUPAC name of 5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde (CID 63325352) is 5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde.
What is the SMILES notation for 5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde?
The canonical SMILES for 5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde is CC(C)=CCOc1ccc(C)cc1C=O.
What is the InChIKey of 5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde?
The InChIKey is OQGBTVXDAGROLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-10(2)6-7-15-13-5-4-11(3)8-12(13)9-14/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde?
5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde has a molecular weight of 204.27 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde is sourced from PubChem (CID 63325352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).