2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)acetaldehyde

C11H18O2 — CID 86023513

IUPAC2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)acetaldehyde
SMILESCC1=C(CC=O)C(C)(C)CC(O)C1
InChIInChI=1S/C11H18O2/c1-8-6-9(13)7-11(2,3)10(8)4-5-12/h5,9,13H,4,6-7H2,1-3H3
InChIKeyOMGSDYLMCMLYBR-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.07
Rot. Bonds2

About 2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)acetaldehyde

2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)acetaldehyde (PubChem CID 86023513) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)acetaldehyde
PubChem CID86023513
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)acetaldehyde
SMILESCC1=C(CC=O)C(C)(C)CC(O)C1
InChIInChI=1S/C11H18O2/c1-8-6-9(13)7-11(2,3)10(8)4-5-12/h5,9,13H,4,6-7H2,1-3H3
InChIKeyOMGSDYLMCMLYBR-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.07
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'}

Analyze 2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hydroxy-beta-cyclocitral
CID 25201359
Crocusatin K
CID 641786
2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl-
CID 520295
Crocusatin J
CID 11183031
Robinlin
CID 10397832
4-Hydroxy-2,6,6-trimethyl-1-cyclohexene-1-carboxaldehyde
CID 13374320
4-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]butan-2-one
CID 10878432
1-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-one
CID 10921468
3-[(3S)-3-hydroxybutyl]-2,4,4-trimethylcyclohex-2-en-1-one
CID 14086374
3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde
CID 3017171
1-(4-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)butane-1,3-dione
CID 12823834
(4S)-4-hydroxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
CID 13374321

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)acetaldehyde?
The IUPAC name of 2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)acetaldehyde (CID 86023513) is 2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)acetaldehyde?
The canonical SMILES for 2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)acetaldehyde is CC1=C(CC=O)C(C)(C)CC(O)C1.
What is the InChIKey of 2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)acetaldehyde?
The InChIKey is OMGSDYLMCMLYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-6-9(13)7-11(2,3)10(8)4-5-12/h5,9,13H,4,6-7H2,1-3H3.
What are the key properties of 2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)acetaldehyde?
2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)acetaldehyde has a molecular weight of 182.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)acetaldehyde is sourced from PubChem (CID 86023513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).