2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde

C13H16O2 — CID 101239649

IUPAC2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde
SMILESCC(C)=CCOc1cccc(C)c1C=O
InChIInChI=1S/C13H16O2/c1-10(2)7-8-15-13-6-4-5-11(3)12(13)9-14/h4-7,9H,8H2,1-3H3
InChIKeyDMDFVPKSPIJGFN-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.15
Rot. Bonds4

About 2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde

2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde (PubChem CID 101239649) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde.

Molecular Properties

Compound Name2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde
PubChem CID101239649
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde
SMILESCC(C)=CCOc1cccc(C)c1C=O
InChIInChI=1S/C13H16O2/c1-10(2)7-8-15-13-6-4-5-11(3)12(13)9-14/h4-7,9H,8H2,1-3H3
InChIKeyDMDFVPKSPIJGFN-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

2-methyl-6-(3-methylbut-2-enoxy)aniline
CID 107899463
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964
2-[3-(2-formyl-3-methylphenoxy)-2,2-bis[(2-formyl-3-methylphenoxy)methyl]propoxy]-6-methylbenzaldehyde
CID 102134444
2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate
CID 129205712
1-methoxy-2-(3-methylbut-2-enoxy)benzene
CID 59165590
5-methyl-2-(3-methylbut-2-enoxy)benzaldehyde
CID 63325352
2,6-dimethylbenzaldehyde
CID 159545887
2-hydroxy-6-[2-hydroxy-5-methyl-3-(3-methylbut-2-enoxy)benzoyl]benzaldehyde
CID 139590734
5-fluoro-2-(3-methylbut-2-enoxy)benzaldehyde
CID 91619201
1-(3-methylbut-2-enoxy)anthracene-9,10-dione
CID 86244771
3-methyl-4-(3-methylbut-2-enoxy)benzenesulfonyl chloride
CID 82918022
N-[[3-methyl-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 112609072

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde?
The IUPAC name of 2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde (CID 101239649) is 2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde.
What is the SMILES notation for 2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde?
The canonical SMILES for 2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde is CC(C)=CCOc1cccc(C)c1C=O.
What is the InChIKey of 2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde?
The InChIKey is DMDFVPKSPIJGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-10(2)7-8-15-13-6-4-5-11(3)12(13)9-14/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde?
2-methyl-6-(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 2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde is sourced from PubChem (CID 101239649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).