3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylic acid

C10H18O3 — CID 77242062

IUPAC3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCCC(O)C1
InChIInChI=1S/C10H18O3/c1-7(2)10(9(12)13)5-3-4-8(11)6-10/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyMQGAGUBPGFOIBK-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds2

About 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylic acid

3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 77242062) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID77242062
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCCC(O)C1
InChIInChI=1S/C10H18O3/c1-7(2)10(9(12)13)5-3-4-8(11)6-10/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyMQGAGUBPGFOIBK-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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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylic acid (CID 77242062) is 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylic acid is CC(C)C1(C(=O)O)CCCC(O)C1.
What is the InChIKey of 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is MQGAGUBPGFOIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(2)10(9(12)13)5-3-4-8(11)6-10/h7-8,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylic acid?
3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylic 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 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 77242062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).