1-hydroxy-4-propylcyclohexane-1-carboxylic acid

C10H18O3 — CID 61238686

IUPAC1-hydroxy-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C10H18O3/c1-2-3-8-4-6-10(13,7-5-8)9(11)12/h8,13H,2-7H2,1H3,(H,11,12)
InChIKeyYKUUZMRNAVQEGQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.79
Rot. Bonds3

About 1-hydroxy-4-propylcyclohexane-1-carboxylic acid

1-hydroxy-4-propylcyclohexane-1-carboxylic acid (PubChem CID 61238686) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-hydroxy-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-propylcyclohexane-1-carboxylic acid
PubChem CID61238686
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-hydroxy-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C10H18O3/c1-2-3-8-4-6-10(13,7-5-8)9(11)12/h8,13H,2-7H2,1H3,(H,11,12)
InChIKeyYKUUZMRNAVQEGQ-UHFFFAOYSA-N
XLogP1.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-hydroxy-4-propylcyclohexane-1-carboxylic acid (CID 61238686) is 1-hydroxy-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-hydroxy-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is YKUUZMRNAVQEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-3-8-4-6-10(13,7-5-8)9(11)12/h8,13H,2-7H2,1H3,(H,11,12).
What are the key properties of 1-hydroxy-4-propylcyclohexane-1-carboxylic acid?
1-hydroxy-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61238686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).