2-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde

C12H14O — CID 105435846

IUPAC2-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde
SMILESCc1ccc(C2(C)CC2C=O)cc1
InChIInChI=1S/C12H14O/c1-9-3-5-10(6-4-9)12(2)7-11(12)8-13/h3-6,8,11H,7H2,1-2H3
InChIKeyWLOIQNZHWMUBKT-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.47
Rot. Bonds2

About 2-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde

2-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde (PubChem CID 105435846) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde
PubChem CID105435846
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde
SMILESCc1ccc(C2(C)CC2C=O)cc1
InChIInChI=1S/C12H14O/c1-9-3-5-10(6-4-9)12(2)7-11(12)8-13/h3-6,8,11H,7H2,1-2H3
InChIKeyWLOIQNZHWMUBKT-UHFFFAOYSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.47
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-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 2-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde (CID 105435846) is 2-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 2-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde is Cc1ccc(C2(C)CC2C=O)cc1.
What is the InChIKey of 2-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde?
The InChIKey is WLOIQNZHWMUBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-9-3-5-10(6-4-9)12(2)7-11(12)8-13/h3-6,8,11H,7H2,1-2H3.
What are the key properties of 2-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde?
2-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde has a molecular weight of 174.24 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 105435846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).