2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal

C11H20O2 — CID 66038858

IUPAC2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal
SMILESCC1CCC(C(C)(O)C=O)CC1C
InChIInChI=1S/C11H20O2/c1-8-4-5-10(6-9(8)2)11(3,13)7-12/h7-10,13H,4-6H2,1-3H3
InChIKeyQAOQYPGTWAOPIJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.01
Rot. Bonds2

About 2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal

2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal (PubChem CID 66038858) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal
PubChem CID66038858
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal
SMILESCC1CCC(C(C)(O)C=O)CC1C
InChIInChI=1S/C11H20O2/c1-8-4-5-10(6-9(8)2)11(3,13)7-12/h7-10,13H,4-6H2,1-3H3
InChIKeyQAOQYPGTWAOPIJ-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethylcyclohexyl)-2-methylpropanal
CID 130743501
2-methyl-5-(2-methyl-1-oxopropan-2-yl)cyclohexane-1-carbaldehyde
CID 121460763
(1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol
CID 40512915
4-[(1R)-3,4-dimethylcyclohexyl]sulfonyl-1,2-dimethylcyclohexane
CID 166684232
2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833051
(4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol
CID 65401125
3-(3,4-dimethylcyclohexyl)-N,3-dimethylbutan-1-amine
CID 81022684
1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoroethanone
CID 64738824
(1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol
CID 118263170
3-(3,4-dimethylcyclohexyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81034089
2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine
CID 112567071
tert-butyl (1S)-3,4-dimethylcyclohexane-1-carboxylate
CID 118389091

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal (CID 66038858) is 2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal is CC1CCC(C(C)(O)C=O)CC1C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal?
The InChIKey is QAOQYPGTWAOPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-4-5-10(6-9(8)2)11(3,13)7-12/h7-10,13H,4-6H2,1-3H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal?
2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal has a molecular weight of 184.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)-2-hydroxypropanal is sourced from PubChem (CID 66038858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).