2-(1-hydroxy-4-methylcyclohexyl)acetaldehyde

C9H16O2 — CID 118448650

IUPAC2-(1-hydroxy-4-methylcyclohexyl)acetaldehyde
SMILESCC1CCC(O)(CC=O)CC1
InChIInChI=1S/C9H16O2/c1-8-2-4-9(11,5-3-8)6-7-10/h7-8,11H,2-6H2,1H3
InChIKeyRLIXTVDZZRGKMT-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds2

About 2-(1-hydroxy-4-methylcyclohexyl)acetaldehyde

2-(1-hydroxy-4-methylcyclohexyl)acetaldehyde (PubChem CID 118448650) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(1-hydroxy-4-methylcyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2-(1-hydroxy-4-methylcyclohexyl)acetaldehyde
PubChem CID118448650
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(1-hydroxy-4-methylcyclohexyl)acetaldehyde
SMILESCC1CCC(O)(CC=O)CC1
InChIInChI=1S/C9H16O2/c1-8-2-4-9(11,5-3-8)6-7-10/h7-8,11H,2-6H2,1H3
InChIKeyRLIXTVDZZRGKMT-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-hydroxy-4-methylcyclohexyl)acetaldehyde?
The IUPAC name of 2-(1-hydroxy-4-methylcyclohexyl)acetaldehyde (CID 118448650) is 2-(1-hydroxy-4-methylcyclohexyl)acetaldehyde.
What is the SMILES notation for 2-(1-hydroxy-4-methylcyclohexyl)acetaldehyde?
The canonical SMILES for 2-(1-hydroxy-4-methylcyclohexyl)acetaldehyde is CC1CCC(O)(CC=O)CC1.
What is the InChIKey of 2-(1-hydroxy-4-methylcyclohexyl)acetaldehyde?
The InChIKey is RLIXTVDZZRGKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8-2-4-9(11,5-3-8)6-7-10/h7-8,11H,2-6H2,1H3.
What are the key properties of 2-(1-hydroxy-4-methylcyclohexyl)acetaldehyde?
2-(1-hydroxy-4-methylcyclohexyl)acetaldehyde has a molecular weight of 156.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-4-methylcyclohexyl)acetaldehyde is sourced from PubChem (CID 118448650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).