2-hydroxy-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde

C9H12O2 — CID 10796930

IUPAC2-hydroxy-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde
SMILESC=C1CC=CC(O)C1(C)C=O
InChIInChI=1S/C9H12O2/c1-7-4-3-5-8(11)9(7,2)6-10/h3,5-6,8,11H,1,4H2,2H3
InChIKeyPXODZEUNHNHEAT-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.07
Rot. Bonds1

About 2-hydroxy-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde

2-hydroxy-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde (PubChem CID 10796930) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-hydroxy-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde
PubChem CID10796930
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-hydroxy-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde
SMILESC=C1CC=CC(O)C1(C)C=O
InChIInChI=1S/C9H12O2/c1-7-4-3-5-8(11)9(7,2)6-10/h3,5-6,8,11H,1,4H2,2H3
InChIKeyPXODZEUNHNHEAT-UHFFFAOYSA-N
XLogP1.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-hydroxy-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde (CID 10796930) is 2-hydroxy-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde is C=C1CC=CC(O)C1(C)C=O.
What is the InChIKey of 2-hydroxy-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde?
The InChIKey is PXODZEUNHNHEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7-4-3-5-8(11)9(7,2)6-10/h3,5-6,8,11H,1,4H2,2H3.
What are the key properties of 2-hydroxy-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde?
2-hydroxy-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde has a molecular weight of 152.19 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 10796930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).