6-hydroxy-4-methylcyclohexene-1-carbaldehyde

C8H12O2 — CID 73020671

IUPAC6-hydroxy-4-methylcyclohexene-1-carbaldehyde
SMILESCC1CC=C(C=O)C(O)C1
InChIInChI=1S/C8H12O2/c1-6-2-3-7(5-9)8(10)4-6/h3,5-6,8,10H,2,4H2,1H3
InChIKeyWEPVENASBMWTEZ-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.90
Rot. Bonds1

About 6-hydroxy-4-methylcyclohexene-1-carbaldehyde

6-hydroxy-4-methylcyclohexene-1-carbaldehyde (PubChem CID 73020671) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 6-hydroxy-4-methylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-4-methylcyclohexene-1-carbaldehyde
PubChem CID73020671
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name6-hydroxy-4-methylcyclohexene-1-carbaldehyde
SMILESCC1CC=C(C=O)C(O)C1
InChIInChI=1S/C8H12O2/c1-6-2-3-7(5-9)8(10)4-6/h3,5-6,8,10H,2,4H2,1H3
InChIKeyWEPVENASBMWTEZ-UHFFFAOYSA-N
XLogP0.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.90
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 6-hydroxy-4-methylcyclohexene-1-carbaldehyde?
The IUPAC name of 6-hydroxy-4-methylcyclohexene-1-carbaldehyde (CID 73020671) is 6-hydroxy-4-methylcyclohexene-1-carbaldehyde.
What is the SMILES notation for 6-hydroxy-4-methylcyclohexene-1-carbaldehyde?
The canonical SMILES for 6-hydroxy-4-methylcyclohexene-1-carbaldehyde is CC1CC=C(C=O)C(O)C1.
What is the InChIKey of 6-hydroxy-4-methylcyclohexene-1-carbaldehyde?
The InChIKey is WEPVENASBMWTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-2-3-7(5-9)8(10)4-6/h3,5-6,8,10H,2,4H2,1H3.
What are the key properties of 6-hydroxy-4-methylcyclohexene-1-carbaldehyde?
6-hydroxy-4-methylcyclohexene-1-carbaldehyde has a molecular weight of 140.18 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 73020671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).