4-methoxy-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid

C12H22O3 — CID 118941567

IUPAC4-methoxy-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid
SMILESCOC1C(C)(C)CC(C(=O)O)CC1(C)C
InChIInChI=1S/C12H22O3/c1-11(2)6-8(9(13)14)7-12(3,4)10(11)15-5/h8,10H,6-7H2,1-5H3,(H,13,14)
InChIKeyNVYVZVHJQUFNOT-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.55
Rot. Bonds2

About 4-methoxy-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid

4-methoxy-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid (PubChem CID 118941567) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 4-methoxy-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid
PubChem CID118941567
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name4-methoxy-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid
SMILESCOC1C(C)(C)CC(C(=O)O)CC1(C)C
InChIInChI=1S/C12H22O3/c1-11(2)6-8(9(13)14)7-12(3,4)10(11)15-5/h8,10H,6-7H2,1-5H3,(H,13,14)
InChIKeyNVYVZVHJQUFNOT-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 161059263
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CID 130964910
CID 140706073
CID 140706073
2-methoxy-1,1,3,3-tetramethylcyclobutane
CID 163267922
3,3-dichlorocyclobutane-1-carboxylic acid
CID 53439787
2-amino-4,4-dimethylbicyclo[4.2.0]octane-7-carboxylic acid
CID 105450840
trans-(1S,3R)-3-methoxycarbonyl-3-methylcyclopentane-1-carboxylic acid
CID 121455557
3,4,5-trimethoxycyclohexane-1-carboxylic acid
CID 18688040
3-hydroxy-3-(2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 80502483
benzene;2,2-dimethylcyclopropane-1-carboxylic acid
CID 144977859
bis(3,3,4-trimethylcyclohexyl)methanone
CID 59950968
cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride
CID 45262222

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-methoxy-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid (CID 118941567) is 4-methoxy-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methoxy-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methoxy-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid is COC1C(C)(C)CC(C(=O)O)CC1(C)C.
What is the InChIKey of 4-methoxy-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid?
The InChIKey is NVYVZVHJQUFNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(2)6-8(9(13)14)7-12(3,4)10(11)15-5/h8,10H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 4-methoxy-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid?
4-methoxy-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid has a molecular weight of 214.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 118941567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).