3-[4-(2-methylpropyl)cyclohexyl]propanal

C13H24O — CID 59557434

IUPAC3-[4-(2-methylpropyl)cyclohexyl]propanal
SMILESCC(C)CC1CCC(CCC=O)CC1
InChIInChI=1S/C13H24O/c1-11(2)10-13-7-5-12(6-8-13)4-3-9-14/h9,11-13H,3-8,10H2,1-2H3
InChIKeyXUTZHJNXAOHUTM-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.82
Rot. Bonds5

About 3-[4-(2-methylpropyl)cyclohexyl]propanal

3-[4-(2-methylpropyl)cyclohexyl]propanal (PubChem CID 59557434) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)cyclohexyl]propanal.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)cyclohexyl]propanal
PubChem CID59557434
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name3-[4-(2-methylpropyl)cyclohexyl]propanal
SMILESCC(C)CC1CCC(CCC=O)CC1
InChIInChI=1S/C13H24O/c1-11(2)10-13-7-5-12(6-8-13)4-3-9-14/h9,11-13H,3-8,10H2,1-2H3
InChIKeyXUTZHJNXAOHUTM-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.82
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 3-[4-(2-methylpropyl)cyclohexyl]propanal?
The IUPAC name of 3-[4-(2-methylpropyl)cyclohexyl]propanal (CID 59557434) is 3-[4-(2-methylpropyl)cyclohexyl]propanal.
What is the SMILES notation for 3-[4-(2-methylpropyl)cyclohexyl]propanal?
The canonical SMILES for 3-[4-(2-methylpropyl)cyclohexyl]propanal is CC(C)CC1CCC(CCC=O)CC1.
What is the InChIKey of 3-[4-(2-methylpropyl)cyclohexyl]propanal?
The InChIKey is XUTZHJNXAOHUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-11(2)10-13-7-5-12(6-8-13)4-3-9-14/h9,11-13H,3-8,10H2,1-2H3.
What are the key properties of 3-[4-(2-methylpropyl)cyclohexyl]propanal?
3-[4-(2-methylpropyl)cyclohexyl]propanal has a molecular weight of 196.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)cyclohexyl]propanal is sourced from PubChem (CID 59557434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).