2-hydroxy-2-(4-methylcycloheptyl)acetic acid

C10H18O3 — CID 66289030

IUPAC2-hydroxy-2-(4-methylcycloheptyl)acetic acid
SMILESCC1CCCC(C(O)C(=O)O)CC1
InChIInChI=1S/C10H18O3/c1-7-3-2-4-8(6-5-7)9(11)10(12)13/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyRJQWNOLJVMKPAD-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds2

About 2-hydroxy-2-(4-methylcycloheptyl)acetic acid

2-hydroxy-2-(4-methylcycloheptyl)acetic acid (PubChem CID 66289030) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-hydroxy-2-(4-methylcycloheptyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(4-methylcycloheptyl)acetic acid
PubChem CID66289030
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-hydroxy-2-(4-methylcycloheptyl)acetic acid
SMILESCC1CCCC(C(O)C(=O)O)CC1
InChIInChI=1S/C10H18O3/c1-7-3-2-4-8(6-5-7)9(11)10(12)13/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyRJQWNOLJVMKPAD-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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Related Compounds

2-Cyclohexyl-2-hydroxyacetic acid
CID 271989
3-Ethyl-2-hydroxyheptanoic acid
CID 44788
(2S)-3-cyclohexyl-2-hydroxypropanoic acid
CID 12756210
(2R)-2-cyclohexyl-2-hydroxyacetic acid
CID 819914
2-Hydroxy-22-methyltetracosanoic acid
CID 23427392
2-Hydroxy-3,7,11,15-tetramethylhexadecanoic acid
CID 189026
13-Cycloheptyl-2-hydroxytridecanoic acid
CID 101921415
(alphaR)-alpha-Hydroxycyclohexanepropanoic acid
CID 54438349
2-Hydroxy-3-(3-hydroxycyclohexyl)-2-methylpropanoic acid
CID 169501840
8-Acetyl-12-hydroxytridecanoic acid
CID 71400117
(2S)-2-hydroxyphytanic acid
CID 6326763
6-Hydroxy-3,7-dimethyloctanoic acid
CID 23422948

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-methylcycloheptyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(4-methylcycloheptyl)acetic acid (CID 66289030) is 2-hydroxy-2-(4-methylcycloheptyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(4-methylcycloheptyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(4-methylcycloheptyl)acetic acid is CC1CCCC(C(O)C(=O)O)CC1.
What is the InChIKey of 2-hydroxy-2-(4-methylcycloheptyl)acetic acid?
The InChIKey is RJQWNOLJVMKPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7-3-2-4-8(6-5-7)9(11)10(12)13/h7-9,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-hydroxy-2-(4-methylcycloheptyl)acetic acid?
2-hydroxy-2-(4-methylcycloheptyl)acetic 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 2-hydroxy-2-(4-methylcycloheptyl)acetic acid is sourced from PubChem (CID 66289030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).