4-(2,2-dimethylpropanoyl)-4-(methoxymethyl)cyclohexane-1-carboxylic acid

C14H24O4 — CID 122675610

IUPAC4-(2,2-dimethylpropanoyl)-4-(methoxymethyl)cyclohexane-1-carboxylic acid
SMILESCOCC1(C(=O)C(C)(C)C)CCC(C(=O)O)CC1
InChIInChI=1S/C14H24O4/c1-13(2,3)12(17)14(9-18-4)7-5-10(6-8-14)11(15)16/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyXQEHMYNIDHCZJI-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.51
Rot. Bonds4

About 4-(2,2-dimethylpropanoyl)-4-(methoxymethyl)cyclohexane-1-carboxylic acid

4-(2,2-dimethylpropanoyl)-4-(methoxymethyl)cyclohexane-1-carboxylic acid (PubChem CID 122675610) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-4-(methoxymethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-4-(methoxymethyl)cyclohexane-1-carboxylic acid
PubChem CID122675610
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name4-(2,2-dimethylpropanoyl)-4-(methoxymethyl)cyclohexane-1-carboxylic acid
SMILESCOCC1(C(=O)C(C)(C)C)CCC(C(=O)O)CC1
InChIInChI=1S/C14H24O4/c1-13(2,3)12(17)14(9-18-4)7-5-10(6-8-14)11(15)16/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyXQEHMYNIDHCZJI-UHFFFAOYSA-N
XLogP2.51
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-1-(methoxymethyl)cyclohexane-1-carboxylic acid
CID 103975916
2,2-difluoro-1-(methoxymethyl)spiro[2.5]octane-6-carboxylic acid
CID 126845424
4-tert-butyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 130233531
4-(tert-butylsulfinylmethyl)-4-hydroxycyclohexane-1-carboxylic acid
CID 106499925
4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 104764733
2-hydroxy-2-methylspiro[3.5]nonane-7-carboxylic acid
CID 90244941
4-(3-methylpentan-3-yl)cyclohexane-1-carboxylic acid
CID 66821857
4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103018968
1-[1-[(tert-butylamino)methoxymethyl]cyclobutyl]-2,2-dimethylpropan-1-one
CID 176747002
4-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxylic acid
CID 103032588
4-[[4-(methoxymethyl)-4-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023688
4,4-bis(ethenyl)cyclohexane-1-carboxylic acid
CID 139611039

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-4-(methoxymethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-4-(methoxymethyl)cyclohexane-1-carboxylic acid (CID 122675610) is 4-(2,2-dimethylpropanoyl)-4-(methoxymethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-4-(methoxymethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-4-(methoxymethyl)cyclohexane-1-carboxylic acid is COCC1(C(=O)C(C)(C)C)CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-4-(methoxymethyl)cyclohexane-1-carboxylic acid?
The InChIKey is XQEHMYNIDHCZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-13(2,3)12(17)14(9-18-4)7-5-10(6-8-14)11(15)16/h10H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 4-(2,2-dimethylpropanoyl)-4-(methoxymethyl)cyclohexane-1-carboxylic acid?
4-(2,2-dimethylpropanoyl)-4-(methoxymethyl)cyclohexane-1-carboxylic acid has a molecular weight of 256.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-4-(methoxymethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122675610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).