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

C9H16O4 — CID 127019982

IUPAC2-hydroxy-2-(1-methoxycyclohexyl)acetic acid
SMILESCOC1(C(O)C(=O)O)CCCCC1
InChIInChI=1S/C9H16O4/c1-13-9(7(10)8(11)12)5-3-2-4-6-9/h7,10H,2-6H2,1H3,(H,11,12)
InChIKeyHXJWYTROTSIIJX-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.78
Rot. Bonds3

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

2-hydroxy-2-(1-methoxycyclohexyl)acetic acid (PubChem CID 127019982) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-hydroxy-2-(1-methoxycyclohexyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(1-methoxycyclohexyl)acetic acid
PubChem CID127019982
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-hydroxy-2-(1-methoxycyclohexyl)acetic acid
SMILESCOC1(C(O)C(=O)O)CCCCC1
InChIInChI=1S/C9H16O4/c1-13-9(7(10)8(11)12)5-3-2-4-6-9/h7,10H,2-6H2,1H3,(H,11,12)
InChIKeyHXJWYTROTSIIJX-UHFFFAOYSA-N
XLogP0.78
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(1-methoxycyclobutyl)acetic acid
CID 119032100
cyclopropyl-(1-methoxycycloheptyl)methanol
CID 116755940
2-(1-hydroxycyclohexyl)-2-methoxyacetic acid
CID 142625258
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267
ethane;1-methoxy-N-sulfanylcyclohexane-1-carboxamide
CID 171543267
1-(1-methoxycycloheptyl)ethanone
CID 83225564
2-methoxy-1-(1-methoxycyclopentyl)ethanol
CID 104610524
2-cyclopropyl-1-(1-methoxycycloheptyl)ethanol
CID 116755946
2-methyl-3-oxo-3-(1-propan-2-ylcyclohexyl)oxypropanoic acid
CID 170442818
1-(3-hydroxybutan-2-yloxy)cycloheptane-1-carboxylic acid
CID 103377832
1-(1-methoxycycloheptyl)-2-methylprop-2-en-1-amine
CID 116769785
2-(1-methoxycyclopropyl)-2-(methylamino)acetic acid;hydrochloride
CID 146194942

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(1-methoxycyclohexyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(1-methoxycyclohexyl)acetic acid (CID 127019982) is 2-hydroxy-2-(1-methoxycyclohexyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(1-methoxycyclohexyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(1-methoxycyclohexyl)acetic acid is COC1(C(O)C(=O)O)CCCCC1.
What is the InChIKey of 2-hydroxy-2-(1-methoxycyclohexyl)acetic acid?
The InChIKey is HXJWYTROTSIIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-13-9(7(10)8(11)12)5-3-2-4-6-9/h7,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-hydroxy-2-(1-methoxycyclohexyl)acetic acid?
2-hydroxy-2-(1-methoxycyclohexyl)acetic acid has a molecular weight of 188.22 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1-methoxycyclohexyl)acetic acid is sourced from PubChem (CID 127019982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).