2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde

C10H18O2 — CID 114795274

IUPAC2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde
SMILESCC1(C)CCC(O)(CC=O)CC1
InChIInChI=1S/C10H18O2/c1-9(2)3-5-10(12,6-4-9)7-8-11/h8,12H,3-7H2,1-2H3
InChIKeyWZLUPCOKVIVZDD-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.91
Rot. Bonds2

About 2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde

2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde (PubChem CID 114795274) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde
PubChem CID114795274
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde
SMILESCC1(C)CCC(O)(CC=O)CC1
InChIInChI=1S/C10H18O2/c1-9(2)3-5-10(12,6-4-9)7-8-11/h8,12H,3-7H2,1-2H3
InChIKeyWZLUPCOKVIVZDD-UHFFFAOYSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.91
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-(1,1,4-trihydroxythian-4-yl)acetaldehyde
CID 118435762
2-(1-hydroxy-4-methylsulfanyloxycyclohexyl)acetaldehyde
CID 144944682
2-(4-hydroxy-1-methylsulfonylpiperidin-4-yl)acetaldehyde
CID 118435774
2-(1-methylcyclopropyl)acetaldehyde
CID 13464501
1-but-3-enyl-4,4-dimethylcycloheptan-1-ol
CID 130913852
4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol
CID 65087135
1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol
CID 79567542
2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde
CID 74022055
4,4-dimethylcyclohexane-1,1-diol
CID 139914363
1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol
CID 106590452
1,4-bis(prop-2-enyl)cyclohexane-1,4-diol
CID 15275260
2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde
CID 106825166

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde?
The IUPAC name of 2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde (CID 114795274) is 2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde.
What is the SMILES notation for 2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde?
The canonical SMILES for 2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde is CC1(C)CCC(O)(CC=O)CC1.
What is the InChIKey of 2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde?
The InChIKey is WZLUPCOKVIVZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)3-5-10(12,6-4-9)7-8-11/h8,12H,3-7H2,1-2H3.
What are the key properties of 2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde?
2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde has a molecular weight of 170.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde is sourced from PubChem (CID 114795274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).