2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid

C10H18O3 — CID 66287773

IUPAC2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid
SMILESCC1(C)CCC(C(O)C(=O)O)CC1
InChIInChI=1S/C10H18O3/c1-10(2)5-3-7(4-6-10)8(11)9(12)13/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyHCPNBLLLCXQMRM-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds2

About 2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid

2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid (PubChem CID 66287773) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid
PubChem CID66287773
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid
SMILESCC1(C)CCC(C(O)C(=O)O)CC1
InChIInChI=1S/C10H18O3/c1-10(2)5-3-7(4-6-10)8(11)9(12)13/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyHCPNBLLLCXQMRM-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-cyclobutyl-2-hydroxyacetic acid
CID 118175739
(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375
2-hydroxy-2-piperidin-4-ylacetic acid
CID 50990582
2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid
CID 81358386
2-(4,4-dimethylcyclohexyl)-2-formamidoacetic acid
CID 130596189
2-hydroxy-2-(4-methylcycloheptyl)acetic acid
CID 66289030
2-(2,2-dimethylcyclohexyl)-2-hydroxyacetic acid
CID 79852423
2-hydroxy-2-(4-propylcyclohexyl)acetic acid
CID 66289223
2-acetyloxy-2-cyclopropylacetic acid;2-cyclopropyl-2-hydroxyacetic acid
CID 159098130
3-(4,4-dimethylcyclohexyl)-2-[1-(4,4-dimethylcyclohexyl)ethyl]-3-hydroxybutanoic acid
CID 146572085
2-[4-acetyl-4-(dicarboxymethyl)cyclohexyl]propanedioic acid
CID 174248688
tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate
CID 167731611

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid (CID 66287773) is 2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid is CC1(C)CCC(C(O)C(=O)O)CC1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid?
The InChIKey is HCPNBLLLCXQMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2)5-3-7(4-6-10)8(11)9(12)13/h7-8,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid?
2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid has a molecular weight of 186.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid is sourced from PubChem (CID 66287773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).