2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid

C11H20O3 — CID 62397063

IUPAC2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid
SMILESCC1CCCC(O)(C(C)(C)C(=O)O)C1
InChIInChI=1S/C11H20O3/c1-8-5-4-6-11(14,7-8)10(2,3)9(12)13/h8,14H,4-7H2,1-3H3,(H,12,13)
InChIKeyXSXJJYUVARDTBQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.04
Rot. Bonds2

About 2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid

2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid (PubChem CID 62397063) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid
PubChem CID62397063
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid
SMILESCC1CCCC(O)(C(C)(C)C(=O)O)C1
InChIInChI=1S/C11H20O3/c1-8-5-4-6-11(14,7-8)10(2,3)9(12)13/h8,14H,4-7H2,1-3H3,(H,12,13)
InChIKeyXSXJJYUVARDTBQ-UHFFFAOYSA-N
XLogP2.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid?
The IUPAC name of 2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid (CID 62397063) is 2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid is CC1CCCC(O)(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid?
The InChIKey is XSXJJYUVARDTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-8-5-4-6-11(14,7-8)10(2,3)9(12)13/h8,14H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid?
2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-methylcyclohexyl)-2-methylpropanoic acid is sourced from PubChem (CID 62397063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).