4,4-dimethyl-2-(2-methylphenyl)pentanal

C14H20O — CID 87081066

IUPAC4,4-dimethyl-2-(2-methylphenyl)pentanal
SMILESCc1ccccc1C(C=O)CC(C)(C)C
InChIInChI=1S/C14H20O/c1-11-7-5-6-8-13(11)12(10-15)9-14(2,3)4/h5-8,10,12H,9H2,1-4H3
InChIKeyIVPOJJNCMARJQT-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.71
Rot. Bonds3

About 4,4-dimethyl-2-(2-methylphenyl)pentanal

4,4-dimethyl-2-(2-methylphenyl)pentanal (PubChem CID 87081066) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-methylphenyl)pentanal.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-methylphenyl)pentanal
PubChem CID87081066
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name4,4-dimethyl-2-(2-methylphenyl)pentanal
SMILESCc1ccccc1C(C=O)CC(C)(C)C
InChIInChI=1S/C14H20O/c1-11-7-5-6-8-13(11)12(10-15)9-14(2,3)4/h5-8,10,12H,9H2,1-4H3
InChIKeyIVPOJJNCMARJQT-UHFFFAOYSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)hex-5-enal
CID 154302284
N,3,3-trimethyl-1-(2-methylphenyl)butan-1-amine
CID 63891299
3,3,3-trifluoro-2-(2-methylphenyl)propanal
CID 84776669
2-hydroxy-2-(2-methylphenyl)acetaldehyde
CID 22607874
2-(2-methylphenyl)-2-sulfanylacetaldehyde
CID 173459115
2-(2-methylphenyl)-2-phenylacetaldehyde
CID 76507098
2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide
CID 107472507
ethyl 2-(2-methylphenyl)-3-oxopropanoate
CID 13330266
3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal
CID 174938822
4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol
CID 62608573
4-(2-methylphenyl)pentanal
CID 88619188
2,7-dimethyl-4-(2-methylphenyl)octa-2,6-dienal
CID 175270594

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2-methylphenyl)pentanal?
The IUPAC name of 4,4-dimethyl-2-(2-methylphenyl)pentanal (CID 87081066) is 4,4-dimethyl-2-(2-methylphenyl)pentanal.
What is the SMILES notation for 4,4-dimethyl-2-(2-methylphenyl)pentanal?
The canonical SMILES for 4,4-dimethyl-2-(2-methylphenyl)pentanal is Cc1ccccc1C(C=O)CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-2-(2-methylphenyl)pentanal?
The InChIKey is IVPOJJNCMARJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-11-7-5-6-8-13(11)12(10-15)9-14(2,3)4/h5-8,10,12H,9H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-(2-methylphenyl)pentanal?
4,4-dimethyl-2-(2-methylphenyl)pentanal has a molecular weight of 204.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2-methylphenyl)pentanal is sourced from PubChem (CID 87081066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).