(4,4-dimethylcyclohexyl) 2-hydroxyacetate

C10H18O3 — CID 131154209

IUPAC(4,4-dimethylcyclohexyl) 2-hydroxyacetate
SMILESCC1(C)CCC(OC(=O)CO)CC1
InChIInChI=1S/C10H18O3/c1-10(2)5-3-8(4-6-10)13-9(12)7-11/h8,11H,3-7H2,1-2H3
InChIKeyXONZTOGUIQCYFG-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.49
Rot. Bonds2

About (4,4-dimethylcyclohexyl) 2-hydroxyacetate

(4,4-dimethylcyclohexyl) 2-hydroxyacetate (PubChem CID 131154209) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl) 2-hydroxyacetate.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl) 2-hydroxyacetate
PubChem CID131154209
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(4,4-dimethylcyclohexyl) 2-hydroxyacetate
SMILESCC1(C)CCC(OC(=O)CO)CC1
InChIInChI=1S/C10H18O3/c1-10(2)5-3-8(4-6-10)13-9(12)7-11/h8,11H,3-7H2,1-2H3
InChIKeyXONZTOGUIQCYFG-UHFFFAOYSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate
CID 114341464
(4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate
CID 114341373
(4,4-dimethylcyclohexyl) 4-amino-3-hydroxy-3-methylbutanoate
CID 114341456
(4,4-dimethylcyclohexyl) 3-amino-5,5-dimethylhexanoate
CID 114341466
(4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate
CID 114341414
(4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate
CID 114341418
(4,4-dimethylcyclohexyl) 2-chloro-2-methylpropanoate
CID 164738028
(4,4-dimethylcyclohexyl) 4-(2-aminoethyl)heptanoate
CID 114341582
(4,4-dimethylcyclohexyl) 2-amino-3-methylpentanoate
CID 114341590
(4,4-dimethylcyclohexyl) 2-(aminomethyl)-3-methylbutanoate
CID 114341387
cyclopentanol;cyclopentyl 2-hydroxyacetate;2-hydroxyacetic acid
CID 158703684
(4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate
CID 114341563

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl) 2-hydroxyacetate?
The IUPAC name of (4,4-dimethylcyclohexyl) 2-hydroxyacetate (CID 131154209) is (4,4-dimethylcyclohexyl) 2-hydroxyacetate.
What is the SMILES notation for (4,4-dimethylcyclohexyl) 2-hydroxyacetate?
The canonical SMILES for (4,4-dimethylcyclohexyl) 2-hydroxyacetate is CC1(C)CCC(OC(=O)CO)CC1.
What is the InChIKey of (4,4-dimethylcyclohexyl) 2-hydroxyacetate?
The InChIKey is XONZTOGUIQCYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2)5-3-8(4-6-10)13-9(12)7-11/h8,11H,3-7H2,1-2H3.
What are the key properties of (4,4-dimethylcyclohexyl) 2-hydroxyacetate?
(4,4-dimethylcyclohexyl) 2-hydroxyacetate has a molecular weight of 186.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl) 2-hydroxyacetate is sourced from PubChem (CID 131154209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).