2-hydroxy-2-[(1R)-1-methylcyclohex-2-en-1-yl]acetic acid

C9H14O3 — CID 131026802

IUPAC2-hydroxy-2-[(1R)-1-methylcyclohex-2-en-1-yl]acetic acid
SMILESC[C@]1(C(O)C(=O)O)C=CCCC1
InChIInChI=1S/C9H14O3/c1-9(7(10)8(11)12)5-3-2-4-6-9/h3,5,7,10H,2,4,6H2,1H3,(H,11,12)/t7?,9-/m0/s1
InChIKeyWXVLHCIUNPSMDH-NETXQHHPSA-N
MW170.21 g/mol
LogP1.18
Rot. Bonds2

About 2-hydroxy-2-[(1R)-1-methylcyclohex-2-en-1-yl]acetic acid

2-hydroxy-2-[(1R)-1-methylcyclohex-2-en-1-yl]acetic acid (PubChem CID 131026802) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-hydroxy-2-[(1R)-1-methylcyclohex-2-en-1-yl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[(1R)-1-methylcyclohex-2-en-1-yl]acetic acid
PubChem CID131026802
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-hydroxy-2-[(1R)-1-methylcyclohex-2-en-1-yl]acetic acid
SMILESC[C@]1(C(O)C(=O)O)C=CCCC1
InChIInChI=1S/C9H14O3/c1-9(7(10)8(11)12)5-3-2-4-6-9/h3,5,7,10H,2,4,6H2,1H3,(H,11,12)/t7?,9-/m0/s1
InChIKeyWXVLHCIUNPSMDH-NETXQHHPSA-N
XLogP1.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[(1R)-1-methylcyclohex-2-en-1-yl]acetic acid?
The IUPAC name of 2-hydroxy-2-[(1R)-1-methylcyclohex-2-en-1-yl]acetic acid (CID 131026802) is 2-hydroxy-2-[(1R)-1-methylcyclohex-2-en-1-yl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[(1R)-1-methylcyclohex-2-en-1-yl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[(1R)-1-methylcyclohex-2-en-1-yl]acetic acid is C[C@]1(C(O)C(=O)O)C=CCCC1.
What is the InChIKey of 2-hydroxy-2-[(1R)-1-methylcyclohex-2-en-1-yl]acetic acid?
The InChIKey is WXVLHCIUNPSMDH-NETXQHHPSA-N. The full InChI is InChI=1S/C9H14O3/c1-9(7(10)8(11)12)5-3-2-4-6-9/h3,5,7,10H,2,4,6H2,1H3,(H,11,12)/t7?,9-/m0/s1.
What are the key properties of 2-hydroxy-2-[(1R)-1-methylcyclohex-2-en-1-yl]acetic acid?
2-hydroxy-2-[(1R)-1-methylcyclohex-2-en-1-yl]acetic acid has a molecular weight of 170.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[(1R)-1-methylcyclohex-2-en-1-yl]acetic acid is sourced from PubChem (CID 131026802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).