3-hydroxy-5-methylcyclohexane-1-carbaldehyde

C8H14O2 — CID 146991456

IUPAC3-hydroxy-5-methylcyclohexane-1-carbaldehyde
SMILESCC1CC(O)CC(C=O)C1
InChIInChI=1S/C8H14O2/c1-6-2-7(5-9)4-8(10)3-6/h5-8,10H,2-4H2,1H3
InChIKeyPHBBJKHRFDAXOL-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.98
Rot. Bonds1

About 3-hydroxy-5-methylcyclohexane-1-carbaldehyde

3-hydroxy-5-methylcyclohexane-1-carbaldehyde (PubChem CID 146991456) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-hydroxy-5-methylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-5-methylcyclohexane-1-carbaldehyde
PubChem CID146991456
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-hydroxy-5-methylcyclohexane-1-carbaldehyde
SMILESCC1CC(O)CC(C=O)C1
InChIInChI=1S/C8H14O2/c1-6-2-7(5-9)4-8(10)3-6/h5-8,10H,2-4H2,1H3
InChIKeyPHBBJKHRFDAXOL-UHFFFAOYSA-N
XLogP0.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.98
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 3-hydroxy-5-methylcyclohexane-1-carbaldehyde?
The IUPAC name of 3-hydroxy-5-methylcyclohexane-1-carbaldehyde (CID 146991456) is 3-hydroxy-5-methylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 3-hydroxy-5-methylcyclohexane-1-carbaldehyde?
The canonical SMILES for 3-hydroxy-5-methylcyclohexane-1-carbaldehyde is CC1CC(O)CC(C=O)C1.
What is the InChIKey of 3-hydroxy-5-methylcyclohexane-1-carbaldehyde?
The InChIKey is PHBBJKHRFDAXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-2-7(5-9)4-8(10)3-6/h5-8,10H,2-4H2,1H3.
What are the key properties of 3-hydroxy-5-methylcyclohexane-1-carbaldehyde?
3-hydroxy-5-methylcyclohexane-1-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 146991456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).