2-(2,4-dimethylpentan-3-yl)benzaldehyde

C14H20O — CID 21290471

IUPAC2-(2,4-dimethylpentan-3-yl)benzaldehyde
SMILESCC(C)C(c1ccccc1C=O)C(C)C
InChIInChI=1S/C14H20O/c1-10(2)14(11(3)4)13-8-6-5-7-12(13)9-15/h5-11,14H,1-4H3
InChIKeyIDPULTPNTQEZMW-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.89
Rot. Bonds4

About 2-(2,4-dimethylpentan-3-yl)benzaldehyde

2-(2,4-dimethylpentan-3-yl)benzaldehyde (PubChem CID 21290471) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-(2,4-dimethylpentan-3-yl)benzaldehyde.

Molecular Properties

Compound Name2-(2,4-dimethylpentan-3-yl)benzaldehyde
PubChem CID21290471
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-(2,4-dimethylpentan-3-yl)benzaldehyde
SMILESCC(C)C(c1ccccc1C=O)C(C)C
InChIInChI=1S/C14H20O/c1-10(2)14(11(3)4)13-8-6-5-7-12(13)9-15/h5-11,14H,1-4H3
InChIKeyIDPULTPNTQEZMW-UHFFFAOYSA-N
XLogP3.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpentan-3-yl)benzaldehyde?
The IUPAC name of 2-(2,4-dimethylpentan-3-yl)benzaldehyde (CID 21290471) is 2-(2,4-dimethylpentan-3-yl)benzaldehyde.
What is the SMILES notation for 2-(2,4-dimethylpentan-3-yl)benzaldehyde?
The canonical SMILES for 2-(2,4-dimethylpentan-3-yl)benzaldehyde is CC(C)C(c1ccccc1C=O)C(C)C.
What is the InChIKey of 2-(2,4-dimethylpentan-3-yl)benzaldehyde?
The InChIKey is IDPULTPNTQEZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-10(2)14(11(3)4)13-8-6-5-7-12(13)9-15/h5-11,14H,1-4H3.
What are the key properties of 2-(2,4-dimethylpentan-3-yl)benzaldehyde?
2-(2,4-dimethylpentan-3-yl)benzaldehyde has a molecular weight of 204.31 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpentan-3-yl)benzaldehyde is sourced from PubChem (CID 21290471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).