4-hydroxy-3,5-dimethoxycyclohexane-1-carboxylic acid

C9H16O5 — CID 149428703

IUPAC4-hydroxy-3,5-dimethoxycyclohexane-1-carboxylic acid
SMILESCOC1CC(C(=O)O)CC(OC)C1O
InChIInChI=1S/C9H16O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h5-8,10H,3-4H2,1-2H3,(H,11,12)
InChIKeyYUPTUNNQGRXCIO-UHFFFAOYSA-N
MW204.22 g/mol
LogP-0.13
Rot. Bonds3

About 4-hydroxy-3,5-dimethoxycyclohexane-1-carboxylic acid

4-hydroxy-3,5-dimethoxycyclohexane-1-carboxylic acid (PubChem CID 149428703) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethoxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethoxycyclohexane-1-carboxylic acid
PubChem CID149428703
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name4-hydroxy-3,5-dimethoxycyclohexane-1-carboxylic acid
SMILESCOC1CC(C(=O)O)CC(OC)C1O
InChIInChI=1S/C9H16O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h5-8,10H,3-4H2,1-2H3,(H,11,12)
InChIKeyYUPTUNNQGRXCIO-UHFFFAOYSA-N
XLogP-0.13
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-3,5-dimethoxycyclohexane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethoxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-3,5-dimethoxycyclohexane-1-carboxylic acid (CID 149428703) is 4-hydroxy-3,5-dimethoxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-3,5-dimethoxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-3,5-dimethoxycyclohexane-1-carboxylic acid is COC1CC(C(=O)O)CC(OC)C1O.
What is the InChIKey of 4-hydroxy-3,5-dimethoxycyclohexane-1-carboxylic acid?
The InChIKey is YUPTUNNQGRXCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h5-8,10H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 4-hydroxy-3,5-dimethoxycyclohexane-1-carboxylic acid?
4-hydroxy-3,5-dimethoxycyclohexane-1-carboxylic acid has a molecular weight of 204.22 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethoxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 149428703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).