ethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde

C13H18O — CID 142479351

IUPACethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde
SMILESCC.Cc1ccc(C2CC2C=O)cc1
InChIInChI=1S/C11H12O.C2H6/c1-8-2-4-9(5-3-8)11-6-10(11)7-12;1-2/h2-5,7,10-11H,6H2,1H3;1-2H3
InChIKeyURKAFGCFSJOJBU-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.32
Rot. Bonds2

About ethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde

ethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde (PubChem CID 142479351) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is ethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Nameethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde
PubChem CID142479351
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Nameethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde
SMILESCC.Cc1ccc(C2CC2C=O)cc1
InChIInChI=1S/C11H12O.C2H6/c1-8-2-4-9(5-3-8)11-6-10(11)7-12;1-2/h2-5,7,10-11H,6H2,1H3;1-2H3
InChIKeyURKAFGCFSJOJBU-UHFFFAOYSA-N
XLogP3.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.32
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 ethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde?
The IUPAC name of ethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde (CID 142479351) is ethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for ethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for ethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde is CC.Cc1ccc(C2CC2C=O)cc1.
What is the InChIKey of ethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde?
The InChIKey is URKAFGCFSJOJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O.C2H6/c1-8-2-4-9(5-3-8)11-6-10(11)7-12;1-2/h2-5,7,10-11H,6H2,1H3;1-2H3.
What are the key properties of ethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde?
ethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde has a molecular weight of 190.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 142479351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).