6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid

C12H18O3 — CID 69362107

IUPAC6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid
SMILESCC(C)(C)OC1(C)C=CC=CC1C(=O)O
InChIInChI=1S/C12H18O3/c1-11(2,3)15-12(4)8-6-5-7-9(12)10(13)14/h5-9H,1-4H3,(H,13,14)
InChIKeyFCDFTBFYTWVZCS-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.39
Rot. Bonds2

About 6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid

6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 69362107) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid
PubChem CID69362107
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid
SMILESCC(C)(C)OC1(C)C=CC=CC1C(=O)O
InChIInChI=1S/C12H18O3/c1-11(2,3)15-12(4)8-6-5-7-9(12)10(13)14/h5-9H,1-4H3,(H,13,14)
InChIKeyFCDFTBFYTWVZCS-UHFFFAOYSA-N
XLogP2.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 67238037
1-[4-[4-[2-[4-[4-(1,6-dicarboxycyclohexa-2,4-dien-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]cyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 175938765
6-methyl-6-propanoylcyclohexa-2,4-diene-1-carboxylic acid
CID 149363120
6-ethylsulfanyl-6-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 70067342
1-hydroxycyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 22292283
6-methoxy-6-methylcyclohexa-2,4-diene-1-carbohydrazide
CID 151394217
6-methyl-6-(1,1,2-trifluoroethylsulfanyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 70068567
6,6-dimethylcyclohexa-2,4-diene-1-carbonyl chloride
CID 19367926
(1,6-dimethylcyclohexa-2,4-dien-1-yl) 2,2,2-trichloroacetate
CID 175877756
(1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate
CID 141274704
6-sulfanyl-6-sulfocyclohexa-2,4-diene-1-carboxylic acid
CID 150519078
6-(cyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 135331838

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid (CID 69362107) is 6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid is CC(C)(C)OC1(C)C=CC=CC1C(=O)O.
What is the InChIKey of 6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is FCDFTBFYTWVZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-11(2,3)15-12(4)8-6-5-7-9(12)10(13)14/h5-9H,1-4H3,(H,13,14).
What are the key properties of 6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid?
6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 210.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 69362107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).