2-(1-propan-2-ylcyclohexyl)acetaldehyde

C11H20O — CID 57205409

IUPAC2-(1-propan-2-ylcyclohexyl)acetaldehyde
SMILESCC(C)C1(CC=O)CCCCC1
InChIInChI=1S/C11H20O/c1-10(2)11(8-9-12)6-4-3-5-7-11/h9-10H,3-8H2,1-2H3
InChIKeyPDJLHEHKIPEEOP-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.18
Rot. Bonds3

About 2-(1-propan-2-ylcyclohexyl)acetaldehyde

2-(1-propan-2-ylcyclohexyl)acetaldehyde (PubChem CID 57205409) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(1-propan-2-ylcyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2-(1-propan-2-ylcyclohexyl)acetaldehyde
PubChem CID57205409
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-(1-propan-2-ylcyclohexyl)acetaldehyde
SMILESCC(C)C1(CC=O)CCCCC1
InChIInChI=1S/C11H20O/c1-10(2)11(8-9-12)6-4-3-5-7-11/h9-10H,3-8H2,1-2H3
InChIKeyPDJLHEHKIPEEOP-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.18
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-(1-propan-2-ylcyclohexyl)acetaldehyde?
The IUPAC name of 2-(1-propan-2-ylcyclohexyl)acetaldehyde (CID 57205409) is 2-(1-propan-2-ylcyclohexyl)acetaldehyde.
What is the SMILES notation for 2-(1-propan-2-ylcyclohexyl)acetaldehyde?
The canonical SMILES for 2-(1-propan-2-ylcyclohexyl)acetaldehyde is CC(C)C1(CC=O)CCCCC1.
What is the InChIKey of 2-(1-propan-2-ylcyclohexyl)acetaldehyde?
The InChIKey is PDJLHEHKIPEEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2)11(8-9-12)6-4-3-5-7-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylcyclohexyl)acetaldehyde?
2-(1-propan-2-ylcyclohexyl)acetaldehyde has a molecular weight of 168.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylcyclohexyl)acetaldehyde is sourced from PubChem (CID 57205409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).