2-(2-hydroxy-1-methylcycloheptyl)acetic acid

C10H18O3 — CID 123795625

IUPAC2-(2-hydroxy-1-methylcycloheptyl)acetic acid
SMILESCC1(CC(=O)O)CCCCCC1O
InChIInChI=1S/C10H18O3/c1-10(7-9(12)13)6-4-2-3-5-8(10)11/h8,11H,2-7H2,1H3,(H,12,13)
InChIKeyBISZVOSYAAMGBX-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.79
Rot. Bonds2

About 2-(2-hydroxy-1-methylcycloheptyl)acetic acid

2-(2-hydroxy-1-methylcycloheptyl)acetic acid (PubChem CID 123795625) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(2-hydroxy-1-methylcycloheptyl)acetic acid.

Molecular Properties

Compound Name2-(2-hydroxy-1-methylcycloheptyl)acetic acid
PubChem CID123795625
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(2-hydroxy-1-methylcycloheptyl)acetic acid
SMILESCC1(CC(=O)O)CCCCCC1O
InChIInChI=1S/C10H18O3/c1-10(7-9(12)13)6-4-2-3-5-8(10)11/h8,11H,2-7H2,1H3,(H,12,13)
InChIKeyBISZVOSYAAMGBX-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1-methylcycloheptyl)acetic acid?
The IUPAC name of 2-(2-hydroxy-1-methylcycloheptyl)acetic acid (CID 123795625) is 2-(2-hydroxy-1-methylcycloheptyl)acetic acid.
What is the SMILES notation for 2-(2-hydroxy-1-methylcycloheptyl)acetic acid?
The canonical SMILES for 2-(2-hydroxy-1-methylcycloheptyl)acetic acid is CC1(CC(=O)O)CCCCCC1O.
What is the InChIKey of 2-(2-hydroxy-1-methylcycloheptyl)acetic acid?
The InChIKey is BISZVOSYAAMGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(7-9(12)13)6-4-2-3-5-8(10)11/h8,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-(2-hydroxy-1-methylcycloheptyl)acetic acid?
2-(2-hydroxy-1-methylcycloheptyl)acetic acid has a molecular weight of 186.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1-methylcycloheptyl)acetic acid is sourced from PubChem (CID 123795625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).