2-(1-prop-2-enylcyclohexyl)acetaldehyde

C11H18O — CID 163359647

IUPAC2-(1-prop-2-enylcyclohexyl)acetaldehyde
SMILESC=CCC1(CC=O)CCCCC1
InChIInChI=1S/C11H18O/c1-2-6-11(9-10-12)7-4-3-5-8-11/h2,10H,1,3-9H2
InChIKeyOEJCYAZXEDLHBW-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.10
Rot. Bonds4

About 2-(1-prop-2-enylcyclohexyl)acetaldehyde

2-(1-prop-2-enylcyclohexyl)acetaldehyde (PubChem CID 163359647) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-(1-prop-2-enylcyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2-(1-prop-2-enylcyclohexyl)acetaldehyde
PubChem CID163359647
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-(1-prop-2-enylcyclohexyl)acetaldehyde
SMILESC=CCC1(CC=O)CCCCC1
InChIInChI=1S/C11H18O/c1-2-6-11(9-10-12)7-4-3-5-8-11/h2,10H,1,3-9H2
InChIKeyOEJCYAZXEDLHBW-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-2-enylcyclohexyl)acetaldehyde?
The IUPAC name of 2-(1-prop-2-enylcyclohexyl)acetaldehyde (CID 163359647) is 2-(1-prop-2-enylcyclohexyl)acetaldehyde.
What is the SMILES notation for 2-(1-prop-2-enylcyclohexyl)acetaldehyde?
The canonical SMILES for 2-(1-prop-2-enylcyclohexyl)acetaldehyde is C=CCC1(CC=O)CCCCC1.
What is the InChIKey of 2-(1-prop-2-enylcyclohexyl)acetaldehyde?
The InChIKey is OEJCYAZXEDLHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-2-6-11(9-10-12)7-4-3-5-8-11/h2,10H,1,3-9H2.
What are the key properties of 2-(1-prop-2-enylcyclohexyl)acetaldehyde?
2-(1-prop-2-enylcyclohexyl)acetaldehyde has a molecular weight of 166.26 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enylcyclohexyl)acetaldehyde is sourced from PubChem (CID 163359647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).